Structures published

4.001(H₂N_0.5)_,0.5(B₁₂H₁₂)

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=9.10295(12)Å b=9.10295(12)Å c=9.10295(12)Å

α=90° β=90° γ=90°

Ca₁F₂

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=5.45095(5)Å b=5.45095(5)Å c=5.45095(5)Å

α=90° β=90° γ=90°

C₃H₇NO₂

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=5.9279(10)Å b=12.2597(17)Å c=5.7939(9)Å

α=90° β=90° γ=90°

C₆H₆O_2,C_0.286O_0.57

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=16.2023(11)Å b=16.2023(11)Å c=5.6943(4)Å

α=90° β=90° γ=120°

Glycil-L-Alanine

C₅H₁₀N₂O₃

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=7.4583(4)Å b=9.4892(7)Å c=9.7301(6)Å

α=90° β=90° γ=90°

C₁₀H₁₀F₂N₄

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=6.9196(1)Å b=14.5749(2)Å c=9.7248(1)Å

α=90° β=90.637(1)° γ=90°

C₂₄H₄₄OsP₂

Kleemiss, Florian Dolomanov, Oleg V.Bodensteiner, Michael Peyerimhoff, Norbert Midgley, Laura Bourhis, Luc J.Genoni, Alessandro Malaspina, Lorraine A.Jayatilaka, Dylan Spencer, John L.White, Fraser Grundkötter-Stock, Bernhard Steinhauer, Simon Lentz, Dieter Puschmann, Horst Grabowsky, Simon

Chemical Science (2021)

a=10.8918(1)Å b=13.7619(1)Å c=17.0714(2)Å

α=90° β=98.563(1)° γ=90°

Triphenyl bismuth

C₁₈H₁₅Bi

Bučinský, Lukáš Jayatilaka, Dylan Grabowsky, Simon

The journal of physical chemistry. A (2016) 120, 33 6650-6669

a=26.5617(7)Å b=5.70760(10)Å c=20.2096(6)Å

α=90.00° β=109.720(3)° γ=90.00°

8-hydroxyquinolinium hydrogen maleate

C₉H₈NO_,C₄H₃O₄

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=5.33860(10)Å b=9.9878(2)Å c=22.3493(4)Å

α=90° β=90° γ=90°

Potassium hydrogen maleate

C₄H₃O_4,K

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=4.50760(10)Å b=7.70270(10)Å c=15.9229(3)Å

α=90° β=90° γ=90°

Lithium hydrogen maleate dihydrate

C₄H₃O_4,Li_,2(H₂O)

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=5.83310(10)Å b=5.94390(10)Å c=18.7920(4)Å

α=90° β=91.3050(10)° γ=90°

Sodium hydrogen maleate trihydrate

C₄H₃O_4,Na_,3(H₂O)

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=5.9224(4)Å b=6.2512(3)Å c=11.2141(7)Å

α=103.935(7)° β=91.490(6)° γ=99.823(7)°

4-aminopyridinium hydrogen maleate

C₄H₃O_4,C₅H₇N₂

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=7.85280(10)Å b=5.54510(10)Å c=10.9223(2)Å

α=90° β=96.394(7)° γ=90°

Magnesium bis(hydrogen maleate) hexahydrate

2(C₄H₃O₄)_,Mg_,6(H₂O)

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=10.195(2)Å b=11.759(2)Å c=6.6206(13)Å

α=90° β=103.67(3)° γ=90°

Loxistatinic acid (E64c)

C₁₅H₂₆N₂O₅

Shi, Ming W.Sobolev, Alexandre N.Schirmeister, Tanja Engels, Bernd Schmidt, Thomas C.Luger, Peter Mebs, Stefan Dittrich, Birger Chen, Yu-Sheng Bąk, Joanna M.Jayatilaka, Dylan Bond, Charles S.Turner, Michael J.Stewart, Scott G.Spackman, Mark A.Grabowsky, Simon

New J. Chem. (2015) 39, 3 1628

a=10.036(2)Å b=11.838(2)Å c=15.884(3)Å

α=79.36(3)° β=78.98(3)° γ=74.71(3)°

N-methylurea

C₂H₆N₂O

Chęcińska, Lilianna Morgenroth, Wolfgang Paulmann, Carsten Jayatilaka, Dylan Dittrich, Birger

CrystEngComm (2013) 15, 11 2084

a=6.741(1)Å b=6.743(1)Å c=8.580(2)Å

α=90.00° β=90.00° γ=90.00°

N-phenylurea

C₇H₈N₂O

Chęcińska, Lilianna Morgenroth, Wolfgang Paulmann, Carsten Jayatilaka, Dylan Dittrich, Birger

CrystEngComm (2013) 15, 11 2084

a=4.634(1)Å b=5.292(1)Å c=13.943(3)Å

α=90.00° β=95.57(3)° γ=90.00°

L-phenylalaninium hydrogen maleate

C₄H₃O_4,C₉H₁₂NO₂

Malaspina, Lorraine Andrade Hoser, Anna A.Edwards, Alison Woinska, Magdalena Turner, Michael J.Price, Jason R.Sugimoto, Kunihisa Nishibori, Eiji Burgi, Hans-Beat Jayatilaka, Dylan Grabowsky, Simon

CrystEngComm (2020)

a=10.905(2)Å b=5.2338(10)Å c=11.439(2)Å

α=90° β=101.36(3)° γ=90°

N,N'-diphenylurea

C₁₃H₁₂N₂O

Chęcińska, Lilianna Morgenroth, Wolfgang Paulmann, Carsten Jayatilaka, Dylan Dittrich, Birger

CrystEngComm (2013) 15, 11 2084

a=9.090(2)Å b=10.372(2)Å c=11.770(2)Å

α=90.00° β=90.00° γ=90.00°

Acetazolamide

C₄H₆N₄O₃S₂

Thomas, Sajesh P.Jayatilaka, Dylan Guru Row, T. N.

Physical chemistry chemical physics : PCCP (2015) 17, 38 25411-25420

a=5.2819(5)Å b=8.9293(9)Å c=9.3525(9)Å

α=104.658(9)° β=99.308(8)° γ=99.803(8)°

C₇₈H₁₃₆N₂₀O_21,C₇₈H₁₃₆N₂₀O_21,NC₂H_3,O_3.5

Dittrich, Birger Bond, Charles S.Kalinowski, Roman Spackman, M. A.Jayatilaka, Dylan

CrystEngComm (2010) 12, 8 2419

a=9.490(9)Å b=16.85(2)Å c=31.68(3)Å

α=95.77(5)° β=98.07(5)° γ=99.45(5)°

L-Homoserine

C₄H₉NO₃

Dittrich, B.Sze, E.Holstein, J. J.Hübschle, C. B.Jayatilaka, D.

Acta Crystallographica Section A (2012) 68, 4 435-442

a=9.1735(1)Å b=11.4736(2)Å c=5.4171(1)Å

α=90.0° β=90.0° γ=90.0°

L-phenylalaninium hydrogen maleate

C₉H₁₂NO_2,C₄H₃O₄

Woińska, Magdalena Jayatilaka, Dylan Spackman, Mark A.Edwards, Alison J.Dominiak, Paulina M.Woźniak, Krzysztof Nishibori, Eiji Sugimoto, Kunihisa Grabowsky, Simon

Acta Crystallographica Section A (2014) 70, 5 483-498

a=10.905(2)Å b=5.2338(10)Å c=11.439(2)Å

α=90° β=101.36(3)° γ=90°

L-phenylalaninium hydrogen maleate

C₉H₁₂NO_2,C₄H₃O₄

Woińska, Magdalena Jayatilaka, Dylan Spackman, Mark A.Edwards, Alison J.Dominiak, Paulina M.Woźniak, Krzysztof Nishibori, Eiji Sugimoto, Kunihisa Grabowsky, Simon

Acta Crystallographica Section A (2014) 70, 5 483-498

a=10.905(2)Å b=5.2338(10)Å c=11.439(2)Å

α=90° β=101.36(3)° γ=90°

Gly-L-Ala

C₅H₁₀N₂O₃

Capelli, Silvia C.Bürgi, Hans-Beat Mason, Sax A.Jayatilaka, Dylan

Acta Crystallographica Section C (2014) 70, 10 949-952

a=7.4541(15)Å b=9.4918(19)Å c=9.7287(19)Å

α=90.00° β=90.00° γ=90.00°

Gly-L-Ala

C₅H₁₀N₂O₃

Capelli, Silvia C.Bürgi, Hans-Beat Mason, Sax A.Jayatilaka, Dylan

Acta Crystallographica Section C (2014) 70, 10 949-952

a=7.4587(7)Å b=9.4928(9)Å c=9.7250(9)Å

α=90.00° β=90.00° γ=90.00°

Gly-L-Ala

C₅H₁₀N₂O₃

Capelli, Silvia C.Bürgi, Hans-Beat Mason, Sax A.Jayatilaka, Dylan

Acta Crystallographica Section C (2014) 70, 10 949-952

a=7.5302(11)Å b=9.5115(16)Å c=9.6855(14)Å

α=90.00° β=90.00° γ=90.00°

Sodium hydrogen maleate

C₄H₃O_4,NaO₃H₆

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=5.9390(12)Å b=6.2687(13)Å c=11.247(2)Å

α=103.95(3)° β=91.49(3)° γ=99.82(3)°

8-hydroxyquinolinium hydrogen maleate

C₉H₈NO_,C₄H₃O₄

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=5.3526(11)Å b=10.014(2)Å c=22.411(4)Å

α=90° β=90° γ=90°

Potassium hydrogen maleate

C₄H₃O_4,K

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=4.5071(9)Å b=7.7017(15)Å c=15.921(3)Å

α=90° β=90° γ=90°

Barium hydrogen maleate

4(C₄O₄H₃)_,Ba_2,8(O₁H₂)

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=6.4162(13)Å b=19.016(4)Å c=11.412(2)Å

α=90° β=92.90(3)° γ=90°

Magnesium hydrogen maleate

2(C₄H₃O₄)_,H₁₂MgO₆

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=10.192(2)Å b=11.756(2)Å c=6.6189(13)Å

α=90° β=103.66(3)° γ=90°

Calcium hydrogen maleate

C₈H₆O_8,Ca_,O₅H₁₀

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=11.724(2)Å b=19.637(4)Å c=6.3269(13)Å

α=90° β=90° γ=90°

4-aminopyridinium hydrogen maleate

C₄H₃O_4,C₅H₇N₂

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=7.8515(16)Å b=5.5447(11)Å c=10.921(2)Å

α=90° β=96.39(3)° γ=90°

C₁₇H₄₄N₁₀O₁₁

Shi, Ming W.Thomas, Sajesh P.Hathwar, Venkatesha R.Edwards, Alison J.Piltz, Ross O.Jayatilaka, Dylan Koutsantonis, George A.Overgaard, Jacob Nishibori, Eiji Iversen, Bo B.Spackman, Mark A.

Journal of the American Chemical Society (2019) 141, 9 3965-3976

a=17.8250(3)Å b=8.25020(10)Å c=20.6233(4)Å

α=90° β=108.527(8)° γ=90°

18-crown-6 pentakis(urea)

C₁₂H₂₄O_6,5(C₁H₄N₂O₁)

Shi, Ming W.Thomas, Sajesh P.Hathwar, Venkatesha R.Edwards, Alison J.Piltz, Ross O.Jayatilaka, Dylan Koutsantonis, George A.Overgaard, Jacob Nishibori, Eiji Iversen, Bo B.Spackman, Mark A.

Journal of the American Chemical Society (2019) 141, 9 3965-3976

a=17.8250(3)Å b=8.25020(10)Å c=20.6233(4)Å

α=90° β=108.527(8)° γ=90°

'2,2'-dihydroxybenzophenone

C₁₃H₁₀O₃

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=7.746(7)Å b=12.245(11)Å c=11.243(10)Å

α=90° β=109.523(1)° γ=90°

2,4-dihydroxybenzophenone

C₁₃H₁₀O₃

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=7.211(3)Å b=19.098(9)Å c=7.513(3)Å

α=90° β=92.835(7)° γ=90°

4,13-diaza-18-crown-6

C₁₂H₂₆N₂O₄

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=8.879(7)Å b=8.560(6)Å c=10.304(8)Å

α=90° β=109.644(11)° γ=90°

2,2'-dihydroxybenzophenone, 4,13-diaza-18-crown-6

C₁₂H₂₆N₂O_4,2(C₁₃H₁₀O₃)

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=8.1924(3)Å b=10.0165(3)Å c=11.7164(5)Å

α=106.969(2)° β=94.936(2)° γ=90.313(2)°

4,4'-dihydroxybenzophenone, 4,13-diaza-18-crown-6

C₁₂H₂₆N₂O_4,C₁₃H₁₀O₃

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=8.6935(2)Å b=10.3060(2)Å c=15.8548(2)Å

α=90.4906(11)° β=104.4329(11)° γ=111.0618(9)°

Gly-L-Ala

C₅H₁₀N₂O₃

Capelli, Silvia C.Bürgi, Hans-Beat Mason, Sax A.Jayatilaka, Dylan

Acta Crystallographica Section C (2014) 70, 10 949-952

a=7.4871(16)Å b=9.4966(19)Å c=9.7078(19)Å

α=90.00° β=90.00° γ=90.00°

Lithium hydrogen maleate

C₄H₃O_4,O₂H₄Li

Malaspina, Lorraine A.Edwards, Alison J.Woińska, Magdalena Jayatilaka, Dylan Turner, Michael J.Price, Jason R.Herbst-Irmer, Regine Sugimoto, Kunihisa Nishibori, Eiji Grabowsky, Simon

Crystal Growth & Design (2017) 17, 7 3812

a=5.8334(12)Å b=5.9257(12)Å c=18.803(4)Å

α=90° β=91.30(3)° γ=90°

2,4-dihydroxybenzophenone, 4,13-diaza-18-crown-6

C₁₂H₂₆N₂O_4,2(C₁₃H₁₀O₃)

Cole, Jacqueline M.Waddell, Paul G.Jayatilaka, Dylan

Crystal Growth & Design (2012) 12, 5 2277

a=9.7905(7)Å b=9.9569(8)Å c=10.8028(9)Å

α=63.925(4)° β=72.701(4)° γ=87.720(4)°

C₂₀H₃₀Ca

Pal, Rumpa Mebs, Stefan Shi, Ming W.Jayatilaka, Dylan Krzeszczakowska, Joanna M.Malaspina, Lorraine A.Wiecko, Michal Luger, Peter Hesse, Malte Chen, Yu-Sheng Beckmann, Jens Grabowsky, Simon

Inorganic chemistry (2018) 57, 9 4906-4920

a=9.6254(3)Å b=12.2852(4)Å c=30.7537(9)Å

α=90° β=96.2650(10)° γ=90°

My_job

C₂₀H₃₀Mg

Pal, Rumpa Mebs, Stefan Shi, Ming W.Jayatilaka, Dylan Krzeszczakowska, Joanna M.Malaspina, Lorraine A.Wiecko, Michal Luger, Peter Hesse, Malte Chen, Yu-Sheng Beckmann, Jens Grabowsky, Simon

Inorganic chemistry (2018) 57, 9 4906-4920

a=9.919(2)Å b=12.511(3)Å c=22.446(5)Å

α=90.000000(0)° β=91.75(3)° γ=90.000000(0)°

Total: 46