Structures published

Car21

C₈₄H₁₅₂NaO₄₁Ti_8,2(C₄H₈O)

Saouma, Caroline T.Tsou, Chih-Chin Richard, Sarah Ameloot, Rob Vermoortele, Frederik Smolders, Simon Bueken, Bart Valdez, Carolyn DiPasquale, Antonio Kaminsky, Werner De Vos, Dirk Mayer, James M.

Chemical Science (2019)

a=24.830(4)Å b=16.876(2)Å c=31.391(4)Å

α=90° β=98.121(8)° γ=90°

CAR4128A

C₁₂₄H₂₁₀CoN₁₂O₄₀Ti₈

Saouma, Caroline T.Tsou, Chih-Chin Richard, Sarah Ameloot, Rob Vermoortele, Frederik Smolders, Simon Bueken, Bart Valdez, Carolyn DiPasquale, Antonio Kaminsky, Werner De Vos, Dirk Mayer, James M.

Chemical Science (2019)

a=19.6778(8)Å b=19.6778(8)Å c=38.0292(19)Å

α=90° β=90° γ=90°

C₂₄H₄₄O₄Si

Michael Burkart Matthew D. Alexander Antonio DiPasquale Shaun D. Fontaine La Clair, James J.Arnold Rheingold

Chemical Communications (2006) 44

a=7.6150(9)Å b=13.9000(17)Å c=23.912(3)Å

α=90.00° β=90.00° γ=90.00°

Methyl 3-[3-(ethoxycarbonyl)thioureido]-1H-pyrazole-5-carboxylate

C₉H₁₂N₄O₄S

Huang, Buwen Kung, Pei-Pei Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 6 o1249

a=8.0855(8)Å b=9.0035(8)Å c=9.5959(9)Å

α=64.5100(10)° β=82.2940(10)° γ=78.7160(10)°

110649-0398-004

C₁₂H₁₅N₅OS

Liu, Zhengyu Liu, Kevin K.-C.Elleraas, Jeff Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 4 o697

a=15.479(2)Å b=7.1217(10)Å c=11.7802(17)Å

α=90° β=90° γ=90°

00110686-0308-c

C₁₂H₁₉BrN₄O

Hoffman, Jacqui E.Cheng, Henry Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 10 o2374

a=9.9514(18)Å b=7.1879(11)Å c=19.566(4)Å

α=90.00° β=91.053(3)° γ=90.00°

(R)-N-Methyl-4-[2-(methylsulfanyl)pyrimidin-4-yl]-1- (tetrahydrofuran-3-yl)-1H-pyrazol-5-amine

C₁₃H₁₇N₅OS

Liu, Zhengyu Liu, Kevin K.-C.Elleraas, Jeff Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 3 o616

a=6.6209(4)Å b=14.0757(9)Å c=14.6793(10)Å

α=90° β=90° γ=90°

.110422E-245

C₁₂H₁₃ClN₆

Richter, Daniel Kath, John C.Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2010) 66, 1 o242

a=4.4673(5)Å b=15.8855(17)Å c=17.6544(19)Å

α=90.00° β=96.244(2)° γ=90.00°

0110422-0159-002

C₁₄H₂₃N₃O₂

Richter, Daniel Kath, John C.Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 4 o870

a=11.356(3)Å b=11.735(3)Å c=11.245(2)Å

α=90.00° β=100.224(3)° γ=90.00°

6-(2,6-Dimethylphenyl)pyrido[2,3-d]pyrimidin-7-amine

C₁₅H₁₄N₄

Nukui, Seiji Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 3 o591

a=16.272(3)Å b=10.644(2)Å c=15.234(3)Å

α=90.00° β=109.118(3)° γ=90.00°

110649-0403-002

C₁₃H₁₇N₅OS

Liu, Zhengyu Liu, Kevin K.-C.Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 5 o1089

a=15.7404(5)Å b=10.1515(3)Å c=18.9644(6)Å

α=90.00° β=112.8290(10)° γ=90.00°

4-Chloro-7-hydroxy-6-methyl-1,7-naphthyridin-8(7H)-one

C₉H₇ClN₂O₂

Bunker, Kevin D.Nukui, Seiji Rheingold, Arnold L.DiPasquale, Antonio Yanovsky, Alex

Acta Crystallographica Section E (2009) 65, 12 o3259

a=9.3983(4)Å b=13.8786(5)Å c=13.5643(5)Å

α=90.00° β=107.663(3)° γ=90.00°

Ent-12

C₁₄H₁₄N₂O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=5.7576(3)Å b=6.6825(4)Å c=29.3671(16)Å

α=90° β=90° γ=90°

9

C₁₆H₁₈N₂O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=10.7972(5)Å b=4.73210(10)Å c=13.9575(6)Å

α=90° β=111.019(5)° γ=90°

Ent-21

C₂₀H₁₈N₂O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=9.8446(8)Å b=5.8701(5)Å c=13.6268(11)Å

α=90° β=101.772(6)° γ=90°

Ent-13

C₁₅H₁₆N₂O₂

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=5.7224(3)Å b=9.4414(5)Å c=23.8273(12)Å

α=90° β=90° γ=90°

7

C₁₈H₂₂N₂O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=16.3071(3)Å b=4.73520(10)Å c=19.7305(4)Å

α=90° β=97.8660(10)° γ=90°

20

C₂₇H₂₅N₃O₄

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=13.777(6)Å b=5.073(2)Å c=15.860(6)Å

α=90° β=103.272(7)° γ=90°

Ent-22

C₁₉H₁₇N₃O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=5.3519(2)Å b=10.5670(4)Å c=26.7767(11)Å

α=90° β=90° γ=90°

8

C₃₈H₅₅ClN₄O₅

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=6.81630(10)Å b=9.5313(2)Å c=15.3468(2)Å

α=73.148(2)° β=77.8340(10)° γ=89.575(2)°

Ent-30

C₁₇H₁₆N₄O

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=9.6081(4)Å b=5.9379(2)Å c=13.0825(5)Å

α=90° β=102.380(2)° γ=90°

JMH1X207

C₁₈H₂₁F₃N₄O₄PtS

Jessica M. Hoover Antonio DiPasquale James M. Mayer Forrest E. Michael

Journal of the American Chemical Society (2010) 132, 5043-5053

a=10.3237(16)Å b=10.8233(16)Å c=11.7218(18)Å

α=95.244(4)° β=113.624(4)° γ=113.405(4)°

KS-129-03

C₅₀H₅₄B₂F₈Fe₂N₈O₄

Kil Sik Min Antonio DiPasquale Arnold L. Rheingold Joel S. Miller

Inorganic Chemistry (2007) 46, 1048-1050

a=15.3981(16)Å b=18.5528(19)Å c=19.548(2)Å

α=90.00° β=107.824(2)° γ=90.00°

KS-129-03

C₅₀H₅₄Fe₂N₈O_4,2(BF₄)

Kil Sik Min Antonio DiPasquale Arnold L. Rheingold Joel S. Miller

Inorganic Chemistry (2007) 46, 1048-1050

a=15.245(2)Å b=18.481(3)Å c=19.241(3)Å

α=90.00° β=107.588(2)° γ=90.00°

C₅₀H₅₆BCl₂Co₂F₄N₈O₆

Min, Kil Sik Rheingold, Arnold L.DiPasquale, Antonio Miller, Joel S.

Inorganic Chemistry (2006) 45, 16 6135-6137

a=13.846(7)Å b=11.493(6)Å c=15.958(8)Å

α=90.00° β=90.687(9)° γ=90.00°

Hein01

2(C₂₀H₃₀Co)_,C₁₈H₁₂Fe₄O₁₂S₄

Aguirre de Carcer, Inigo DiPasquale, Antonio Rheingold, Arnold L.Heinekey, D. Michael

Inorganic Chemistry (2006) 45, 20 8000-8002

a=9.163(6)Å b=19.047(13)Å c=20.123(14)Å

α=116.615(9)° β=97.989(11)° γ=95.037(10)°

Ent-14

C₁₅H₁₆N₂O₂

Parr, Brendan T.Pastor, Richard Sellers, Benjamin D.Pei, Zhonghua Jaipuri, Firoz A.Castanedo, Georgette M.Gazzard, Lewis Kumar, Sanjeev Li, Xiaokai Liu, Wen Mendonca, Rohan Pavana, Roheeth K.Potturi, Hima Shao, Cheng Velvadapu, Venkata Waldo, Jesse P.Wu, Guosheng Yuen, Po-wai Zhang, Zuhui Zhang, Yamin Harris, Seth F.Oh, Angela J.DiPasquale, Antonio Dement, Kevin La, Hank Goon, Leanne Gustafson, Amy VanderPorten, Erica C.Mautino, Mario R.Liu, Yichin

ACS Medicinal Chemistry Letters (2020)

a=9.9840(9)Å b=5.4028(3)Å c=12.6101(10)Å

α=90° β=111.475(6)° γ=90°

JMHI061

C₃₂H₄₂Cl₂N₂Ru₂

Hoover, Jessica M.DiPasquale, Antonio Mayer, James M.Michael, Forrest E.

Organometallics (2007) 26, 14 3297

a=9.361(5)Å b=9.382(5)Å c=10.278(5)Å

α=63.061(5)° β=82.784(5)° γ=68.665(5)°

Structures by: DiPasquale A.

Total: 28

Car21

CAR4128A

C₂₄H₄₄O₄Si

Methyl 3-[3-(ethoxycarbonyl)thioureido]-1<i>H</i>-pyrazole-5-carboxylate

110649-0398-004

00110686-0308-c

(<i>R</i>)-<i>N</i>-Methyl-4-[2-(methylsulfanyl)pyrimidin-4-yl]-1- (tetrahydrofuran-3-yl)-1<i>H</i>-pyrazol-5-amine

.110422E-245

0110422-0159-002

6-(2,6-Dimethylphenyl)pyrido[2,3-<i>d</i>]pyrimidin-7-amine

110649-0403-002

4-Chloro-7-hydroxy-6-methyl-1,7-naphthyridin-8(7<i>H</i>)-one

Ent-12

9

Ent-21

Ent-13

7

20

Ent-22

8

Ent-30

JMH1X207

KS-129-03

KS-129-03

C₅₀H₅₆BCl₂Co₂F₄N₈O₆

Hein01

Ent-14

JMHI061