Structures published

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.01600Å b=6.66840Å c=12.91420Å

α=90° β=116.5570° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.47510Å b=6.62550Å c=19.22870Å

α=90° β=92.8990° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.81890Å b=10.05890Å c=13.43410Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.85590Å b=6.68600Å c=20.75980Å

α=90° β=93.1650° γ=90°

2-fluorophenylacetylene

C₈H₅F

Ridout, Joe Price, Louise S.Howard, Judith A. K.Probert, Michael R.

Crystal Growth & Design (2014) 14, 7 3384

a=3.9343(7)Å b=5.9336(10)Å c=12.962(4)Å

α=90.00° β=98.467(9)° γ=90.00°

2-fluorophenylacetylene

C₈H₅F

Ridout, Joe Price, Louise S.Howard, Judith A. K.Probert, Michael R.

Crystal Growth & Design (2014) 14, 7 3384

a=7.031(4)Å b=5.924(4)Å c=7.441(5)Å

α=90.00° β=103.563(17)° γ=90.00°

2-fluorophenylacetlyene

C₈H₅F

Ridout, Joe Price, Louise S.Howard, Judith A. K.Probert, Michael R.

Crystal Growth & Design (2014) 14, 7 3384

a=7.578(6)Å b=13.024(14)Å c=6.171(5)Å

α=90.00° β=90.00° γ=90.00°

TGF beta

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=19.4305(17)Å b=11.3245(11)Å c=9.1511(9)Å

α=90° β=95.302(5)° γ=90°

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.2116(11)Å b=11.5104(14)Å c=11.8746(18)Å

α=102.001(10)° β=105.368(11)° γ=102.349(9)°

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=7.7119(14)Å b=8.9111(17)Å c=14.617(2)Å

α=81.906(13)° β=78.799(14)° γ=75.258(15)°

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=10.7270(3)Å b=14.4711(5)Å c=12.7050(4)Å

α=90° β=107.1120(17)° γ=90°

TGF beta

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.134(2)Å b=12.620(4)Å c=18.059(3)Å

α=86.707(19)° β=100.094(15)° γ=83.303(19)°

TGF Beta

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.5537(2)Å b=11.3718(4)Å c=11.5674(5)Å

α=65.784(3)° β=105.495(3)° γ=77.315(2)°

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=18.9981(11)Å b=9.8532(6)Å c=21.8829(13)Å

α=90° β=113.219(3)° γ=90°

TGF beta

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=11.3011(3)Å b=20.8473(5)Å c=8.10637(17)Å

α=90° β=98.879(2)° γ=90°

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=27.938(4)Å b=8.0817(7)Å c=22.004(3)Å

α=90° β=133.55(3)° γ=90°

4-[2-(6-methylpyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoline

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=27.654(13)Å b=8.108(8)Å c=21.934(11)Å

α=90° β=133.41(8)° γ=90°

C₂₂H₁₉N₅O_,H₂O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=9.0505(7)Å b=11.3624(9)Å c=19.1323(16)Å

α=90° β=94.954(3)° γ=90°

C₂₂H₁₉N₅OCH₄O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.0458(4)Å b=22.6024(10)Å c=11.2097(5)Å

α=90° β=106.274(2)° γ=90°

TGF Beta

C₂₂H₁₉N₅OC₂H₆O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.0820(4)Å b=9.2580(4)Å c=15.5250(7)Å

α=73.338(2)° β=89.974(2)° γ=84.594(2)°

TGF Beta

C₂₂H₁₉N₅OC₃H₈O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=7.7720(11)Å b=11.8319(18)Å c=12.8267(17)Å

α=89.030(9)° β=74.293(8)° γ=82.225(10)°

TGF Beta

C₂₆H₂₉N₅O₂

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.1145(8)Å b=12.0611(13)Å c=12.5401(13)Å

α=88.454(5)° β=79.842(4)° γ=76.813(5)°

TGF beta

C₂₂H₁₉N₅OC₄H₁₀O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.1676(2)Å b=11.9112(3)Å c=12.7014(3)Å

α=89.4745(11)° β=81.2360(14)° γ=75.9211(11)°

TGF Beta

C₂₂H₁₉N₅O_,2(C₄H₈O₂)

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=10.6011(8)Å b=11.6654(9)Å c=12.5667(9)Å

α=69.035(3)° β=86.603(2)° γ=81.573(2)°

TGF beta

C₂₂H₁₉N₅O_,0.5(C₄H₈O₂)_,H₂O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=7.7332(3)Å b=11.4956(4)Å c=12.1986(4)Å

α=85.299(2)° β=84.505(2)° γ=85.518(2)°

TGF Beta

C₂₂H₁₉N₅O_,C₄H₈O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.3929(7)Å b=11.7452(9)Å c=12.0347(10)Å

α=92.483(3)° β=106.415(4)° γ=97.071(4)°

TGF beta

C₂₂H₁₉N₅O_,CH₂Cl₂

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.4961(8)Å b=10.3766(10)Å c=12.7043(12)Å

α=103.239(5)° β=91.904(5)° γ=94.505(5)°

C₂₂H₁₉N₅O_,C₄H₈O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=9.8533(7)Å b=11.2079(6)Å c=11.5743(6)Å

α=101.869(2)° β=105.813(2)° γ=105.560(2)°

C₂₂H₁₉N₅O_,C₂H₆O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.1100(4)Å b=11.6569(6)Å c=12.7599(6)Å

α=90.026(4)° β=99.248(4)° γ=101.238(4)°

C₂₂H₁₉N₅O_,C₂H₄O₂

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=9.5331(11)Å b=10.9792(13)Å c=11.6291(17)Å

α=66.668(12)° β=65.944(8)° γ=78.915(9)°

C₂₂H₁₉N₅OC₃H₈O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.0480(8)Å b=11.4825(13)Å c=12.8727(13)Å

α=89.280(7)° β=80.416(7)° γ=79.313(7)°

TGF beta

C₂₂H₁₉N₅O_,C₅H₁₀O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.5823(11)Å b=11.0257(18)Å c=12.7778(16)Å

α=101.925(12)° β=92.429(11)° γ=97.579(12)°

TGF beta

C₂₂H₁₉N₅OC₄H₈O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=12.1495(14)Å b=8.4511(9)Å c=20.111(2)Å

α=90° β=93.551(7)° γ=90°

TGF beta

C₂₂H₁₉N₅O_,C₅H₉NO

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=9.9660(6)Å b=33.730(2)Å c=7.3404(5)Å

α=90° β=106.892(2)° γ=90°

6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid

C₂₀H₁₄Cl₂FNO₃

Ismail, Salima Z.Anderton, Clare L.Copley, Royston C. B.Price, Louise S.Price, Sarah L.

Crystal Growth & Design (2013) 13, 6 2396

a=7.8537(6)Å b=7.9722(5)Å c=16.0328(18)Å

α=81.018(9)° β=77.284(8)° γ=66.562(5)°

6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, N-methyl-2-pyrrolidone solvate (1:1)

C₂₀H₁₄Cl₂FNO_3,C₅H₉NO

Ismail, Salima Z.Anderton, Clare L.Copley, Royston C. B.Price, Louise S.Price, Sarah L.

Crystal Growth & Design (2013) 13, 6 2396

a=7.6611(2)Å b=10.3298(3)Å c=15.5587(4)Å

α=82.629(2)° β=86.174(2)° γ=71.791(2)°

6-[(5-Chloro-2-{[(4-chloro-2-fluorophenyl)methyl]oxy}phenyl)methyl]- 2-pyridinecarboxylic acid, DMSO solvate (1:2)

C₂₀H₁₄Cl₂FNO_3,2(C₂H₆OS)

Ismail, Salima Z.Anderton, Clare L.Copley, Royston C. B.Price, Louise S.Price, Sarah L.

Crystal Growth & Design (2013) 13, 6 2396

a=8.2693(2)Å b=13.0633(4)Å c=14.2559(4)Å

α=116.333(3)° β=91.503(2)° γ=105.955(3)°

Olanzapine

C₁₇H₂₀N₄S₁

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=10.3411(13)Å b=14.521(2)Å c=10.5314(14)Å

α=90.00° β=100.291(4)° γ=90.00°

Olanzapine

C₁₇H₂₀N₄S₁

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=9.8544(14)Å b=16.314(2)Å c=9.9754(12)Å

α=90.00° β=98.304(8)° γ=90.00°

Olanzapine 2-butoxyethanol

C₁₇H₂₀N₄S_1,(C₆H₁₄O₂)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=10.4420(10)Å b=17.7328(15)Å c=15.5165(13)Å

α=90.00° β=126.279(5)° γ=90.00°

Olanzapine 2,2,2-trifluoroethanol

C₁₇H₂₀N₄S_1,2(C₂F₃O₁H₃)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=12.7244(9)Å b=11.7538(8)Å c=16.0067(11)Å

α=90.00° β=94.782(2)° γ=90.00°

Olanzapine acetic acid

C₁₇H₂₀N₄S₁(C₂O₂H₄)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=10.0427(11)Å b=12.7430(13)Å c=14.3886(15)Å

α=90.00° β=92.436(4)° γ=90.00°

Olanzapine ethyleneglycol

C₁₇H₂₀N₄S_1,(C₂H₆O₂)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=9.8393(16)Å b=13.278(2)Å c=14.588(2)Å

α=90.00° β=96.328(7)° γ=90.00°

Olanzapine ethanol

C₁₇H₂₀N₄S_1,C₂H₆O₁

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=10.3489(18)Å b=13.003(2)Å c=13.870(2)Å

α=90.00° β=92.496(6)° γ=90.00°

Olanzapine TBMe hydrate

C₁₇H₂₀N₄S_1,(C₅H₁₂O₁)_,2(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=14.2070(1)Å b=12.2211(9)Å c=14.550(1)Å

α=90.00° β=109.239(3)° γ=90.00°

Olanzapine t-butanol hydrate

2(C₁₇H₂₀N₄S₁)_,2(C₄H₁₀O₁)_,5(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=14.2491(9)Å b=12.3838(8)Å c=27.1418(17)Å

α=90.00° β=99.052(2)° γ=90.00°

Olanzapine 3-methyl 1-butanol hydrate

2(C₁₇H₂₀N₄S₁)_,2(C₅H₁₂O₁)_,2(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=12.3420(17)Å b=13.3559(18)Å c=14.630(2)Å

α=105.883(6)° β=90.290(6)° γ=92.005(6)°

Olanzapine N,N dimethylforamide hydrate

2(C₁₇H₂₀N₄S)_,(C₃H₇NO₁)₂(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=14.9885(9)Å b=12.7558(7)Å c=19.8567(12)Å

α=90.00° β=93.348(2)° γ=90.00°

Olanzapine 1.4-butanediol hydrate

2(C₁₇H₂₀N₄S₁)_,(C₄O₂H₁₀)_,2(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=12.2637(11)Å b=14.1146(10)Å c=14.1783(12)Å

α=63.985(3)° β=65.649(4)° γ=65.437(4)°

Olanzapine-2-pentanol hydrate

C₁₇H₂₀N₄S_1,C₅H₁₂O_1,H₂O

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=13.4466(10)Å b=12.3833(9)Å c=14.5522(9)Å

α=90.00° β=104.839(2)° γ=90.00°

Olanzapine N,N,N-triethylamine hydrate

(C₁₇H₂₀N₄S)_,0.5(C₆H₁₅N)₂(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=14.8170(10)Å b=12.6230(10)Å c=14.4610(10)Å

α=90.00° β=113.36(2)° γ=90.00°

Olanzapine pyridine hydrate

2(C₁₇H₂₀N₄S₁)_,(C₅H₅N)₂(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=14.8824(7)Å b=12.7289(7)Å c=20.3218(11)Å

α=90.00° β=93.465(2)° γ=90.00°

Olanzapine 1-butanol hydrate

C₁₇H₂₀N₄S_1,0.5(C₄H₁₀O₁)_,H₂O₁

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.575(6)Å b=12.429(3)Å c=15.006(3)Å

α=90.00° β=125.255(7)° γ=90.00°

Olanzapine nitromethane hydrate

C₁₇H₂₀N₄S_1,0.5(CH₃NO₂)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.352(3)Å b=12.3706(13)Å c=15.0182(18)Å

α=90.00° β=125.531(5)° γ=90.00°

Olanzapine 1,2-dimethoxyethane hydrate

(C₁₇H₂₀N₄s₁)_,0.5(C₄H₁₀O₂)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.4675(13)Å b=12.2298(8)Å c=15.1073(8)Å

α=90.00° β=125.675(2)° γ=90.00°

Olanzapine methanol

C₁₇H₂₀N₄S₁(C₁H₄O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=10.1493(9)Å b=12.2895(10)Å c=14.0944(13)Å

α=90.00° β=91.905(5)° γ=90.00°

Olanzapine dihydrate

C₁₇H₂₀N₄S_1,2(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=9.846(2)Å b=12.672(3)Å c=14.384(3)Å

α=90.00° β=92.724(9)° γ=90.00°

Olanzapine dichloromethane

2(C₁₇H₂₀N₄S₁)_,1(CH₂Cl₂)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=9.6671(15)Å b=11.5070(17)Å c=16.697(2)Å

α=103.991(6)° β=96.989(6)° γ=99.825(6)°

Olanzapine 1,4-dioxan hydrate

C₁₇H₂₀N₄S_,0.5(C₄H₈O₂)_,(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.447(3)Å b=12.5660(16)Å c=14.9591(19)Å

α=90.00° β=125.421(5)° γ=90.00°

Olanzapine acetonitrile hydrate

(C₁₇H₂₀N₄S₁)_,(C₂H₃N₁)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.381(2)Å b=12.3856(9)Å c=15.0565(14)Å

α=90.00° β=125.321(7)° γ=90.00°

Olanzpaine tetrahydrofuran hydrate

C₁₇H₂₀N₄S_,0.5(C₄H₈O)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.2355(10)Å b=12.5913(5)Å c=15.0767(6)Å

α=90.00° β=124.9990(10)° γ=90.00°

Olanzapine acetone hydrate

C₁₇H₂₀N₄S_1,0.5(C₃O₁H₆)_,(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.226(2)Å b=12.5269(12)Å c=15.0737(15)Å

α=90.00° β=124.976(4)° γ=90.00°

Olanzapine methylacetate hydrate

C₁₇H₂₀N₄S_1,0.5(C₃H₆O₂)_,H₂O₁

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.899(4)Å b=12.5316(19)Å c=15.243(2)Å

α=90.00° β=126.990(5)° γ=90.00°

Olanzapine 1,2 propanediol hydrate

C₁₇H₂₀N₄S_1,(C₃H₈O₂)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.704(2)Å b=12.1883(10)Å c=15.1242(12)Å

α=90.00° β=125.206(3)° γ=90.00°

Olanzapine 1-propanol hydrate

C₁₇H₂₀N₄S_1,0.5(C₃H₈O₁)_,(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.4748(13)Å b=12.3515(6)Å c=15.1109(8)Å

α=90.00° β=125.6490(10)° γ=90.00°

Olanzapine higher hydrate

C₁₇H₂₀N₄S_1,2.5(H₂O₁)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=24.940(6)Å b=12.156(3)Å c=14.867(3)Å

α=90.00° β=124.928(6)° γ=90.00°

C₂₁H₁₇Cl₂NO₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=12.90230Å b=10.90870Å c=16.54040Å

α=90° β=121.4760° γ=90°

C₂₁H₁₇Cl₂NO₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.01700Å b=38.69760Å c=8.32240Å

α=90° β=115.7540° γ=90°

C₂₁H₁₇Cl₂NO₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.01400Å b=12.75340Å c=12.57870Å

α=90° β=96.6300° γ=90°

C₂₁H₁₇Cl₂NO₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.20230Å b=9.93780Å c=13.41810Å

α=107.0700° β=95.9490° γ=114.7540°

C₂₁H₁₇Cl₂NO₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.98290Å b=8.01180Å c=19.28250Å

α=80.9440° β=87.4920° γ=70.6290°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.26430Å b=9.74320Å c=14.14750Å

α=90° β=117.9220° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=14.24480Å b=8.17980Å c=18.44490Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.09320Å b=10.90050Å c=7.85530Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=13.37080Å b=10.38530Å c=15.53850Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.21970Å b=12.75770Å c=9.42120Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.31070Å b=9.08670Å c=13.73890Å

α=90° β=109.4230° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.68770Å b=9.75210Å c=12.03710Å

α=90° β=90.2600° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=6.90260Å b=7.15280Å c=23.43300Å

α=90° β=90° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.12690Å b=19.00000Å c=9.03990Å

α=90° β=108.5580° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.54550Å b=18.61090Å c=13.96010Å

α=90° β=109.5210° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.54310Å b=18.59260Å c=13.94210Å

α=90° β=109.1970° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.31950Å b=10.43450Å c=14.33950Å

α=93.2260° β=105.8350° γ=118.7850°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.66610Å b=18.52520Å c=13.53240Å

α=90° β=104.8410° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.65560Å b=18.52390Å c=13.56990Å

α=90° β=105.1910° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.06240Å b=10.75200Å c=13.78730Å

α=110.9360° β=102.8060° γ=101.0520°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.99680Å b=10.05660Å c=14.48900Å

α=81.5930° β=81.6160° γ=65.4950°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=9.55040Å b=10.26940Å c=14.51140Å

α=93.4850° β=93.6070° γ=113.3620°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.84020Å b=10.99930Å c=11.42820Å

α=70.4810° β=89.2270° γ=84.6270°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=19.12090Å b=20.31460Å c=14.49820Å

α=90° β=107.3800° γ=90°

C₃₄H₂₂Cl₂N₂O₂

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=10.10000Å b=21.09400Å c=13.05600Å

α=90° β=108.3990° γ=90°

C₈N₄S₃

Reilly, Anthony M.Cooper, Richard I.Adjiman, Claire S.Bhattacharya, Saswata Boese, A. Daniel Brandenburg, Jan Gerit Bygrave, Peter J.Bylsma, Rita Campbell, Josh E.Car, Roberto Case, David H.Chadha, Renu Cole, Jason C.Cosburn, Katherine Cuppen, Herma M.Curtis, Farren Day, Graeme M.DiStasio Jr, Robert A.Dzyabchenko, Alexander van Eijck, Bouke P.Elking, Dennis M.van den Ende, Joost A.Facelli, Julio C.Ferraro, Marta B.Fusti-Molnar, Laszlo Gatsiou, Christina-Anna Gee, Thomas S.de Gelder, René Ghiringhelli, Luca M.Goto, Hitoshi Grimme, Stefan Guo, Rui Hofmann, Detlef W. M.Hoja, Johannes Hylton, Rebecca K.Iuzzolino, Luca Jankiewicz, Wojciech de Jong, Daniël T.Kendrick, John de Klerk, Niek J. J.Ko, Hsin-Yu Kuleshova, Liudmila N.Li, Xiayue Lohani, Sanjaya Leusen, Frank J. J.Lund, Albert M.Lv, Jian Ma, Yanming Marom, Noa Masunov, Artëm E.McCabe, Patrick McMahon, David P.Meekes, Hugo Metz, Michael P.Misquitta, Alston J.Mohamed, Sharmarke Monserrat, Bartomeu Needs, Richard J.Neumann, Marcus A.Nyman, Jonas Obata, Shigeaki Oberhofer, Harald Oganov, Artem R.Orendt, Anita M.Pagola, Gabriel I.Pantelides, Constantinos C.Pickard, Chris J.Podeszwa, Rafal Price, Louise S.Price, Sarah L.Pulido, Angeles Read, Murray G.Reuter, Karsten Schneider, Elia Schober, Christoph Shields, Gregory P.Singh, Pawanpreet Sugden, Isaac J.Szalewicz, Krzysztof Taylor, Christopher R.Tkatchenko, Alexandre Tuckerman, Mark E.Vacarro, Francesca Vasileiadis, Manolis Vazquez-Mayagoitia, Alvaro Vogt, Leslie Wang, Yanchao Watson, Rona E.de Wijs, Gilles A.Yang, Jack Zhu, Qiang Groom, Colin R.

Acta Crystallographica Section B (2016) 72, 4 439-459

a=7.39620Å b=6.51910Å c=10.05510Å

α=90° β=91.1310° γ=90°

TGF beta

C₂₂H₁₉N₅O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.2599(3)Å b=19.6072(14)Å c=12.6913(6)Å

α=90° β=116.545(2)° γ=90°

TGF beta

C₂₂H₁₉N₅O_,C₄H₉NO

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.6946(4)Å b=10.9640(4)Å c=12.9344(5)Å

α=77.7370(16)° β=88.5612(17)° γ=79.1558(19)°

C₂₂H₁₉N₅O_,C₄H₁₀O

Bhardwaj, Rajni M.McMahon, Jennifer A.Nyman, Jonas Price, Louise S.Konar, Sumit Oswald, Iain D. H.Pulham, Colin R.Price, Sarah L.Reutzel-Edens, Susan M

Journal of the American Chemical Society (2019) 141, 35 13887-13897

a=8.1840(8)Å b=12.0219(12)Å c=12.6533(12)Å

α=89.543(6)° β=81.238(6)° γ=75.349(6)°

Olanzapine 2-methoxyethanol hydrate

C₁₇H₂₀N₄S_,0.5(C₃H₈O₂)_,(H₂O)

Bhardwaj, Rajni M.Price, Louise S.Price, Sarah L.Reutzel-Edens, Susan M.Miller, Gary J.Oswald, Iain D. H.Johnston, Blair F.Florence, Alastair J.

Crystal Growth & Design (2013) 13, 4 1602

a=25.0869(8)Å b=12.3821(4)Å c=15.1983(5)Å

α=90.00° β=126.8720(10)° γ=90.00°

Total: 396