Structures published

Total: 55

Doravirine

C₁₇H₁₁ClF₃N₅O₃

Rudd, Nathan D.Reibarkh, Mikhail Fang, Rui Mittal, Sachin Walsh, Paul L.Brunskill, Andrew P. J.Forrest, William P.

Molecular pharmaceutics (2020)

a=7.9899(5)Å b=10.1223(6)Å c=11.6441(7)Å

α=101.878(2)° β=104.712(2)° γ=97.380(2)°

Navarixin Ethanol Solvate

C₂₁H₂₃N₃O_5,C₂H₆O

Maguire, Courtney K.Brunskill, Andrew P. J.

Molecular pharmaceutics (2015) 12, 6 2061-2067

a=9.74560(10)Å b=10.05200(10)Å c=12.3150(2)Å

α=90° β=107.9123(3)° γ=90°

Navarixin methanol solvate

C₂₁H₂₃N₃O_5.CH₄O

Maguire, Courtney K.Brunskill, Andrew P. J.

Molecular pharmaceutics (2015) 12, 6 2061-2067

a=9.4995(2)Å b=9.7624(2)Å c=12.7614(3)Å

α=90° β=111.6656(6)° γ=90°

4-bromo-2-isopropylphenol hemi-1,4-diazabicyclo[2.2.2]octane cocrystal

C₉H₁₁Br₁O_,0.5(C₆H₁₂N₂)

Peng, Feng Humphrey, Guy R.Maloney, Kevin M.Lehnherr, Dan Weisel, Mark Lévesque, Francois Naber, John R.Brunskill, Andrew P. J.Larpent, Patrick Zhang, Si-Wei Lee, Alfred Y.Arvary, Rebecca A.Lee, Claire H.Bishara, Daniel Narsimhan, Karthik Sirota, Eric Whittington, Michael

Organic Process Research & Development (2020)

a=22.5044(8)Å b=8.2479(3)Å c=16.3708(6)Å

α=90° β=126.3250(11)° γ=90°

(+-)-2,3,3a,4,5,6-Hexahydro-7-methyl-1,12-dioxo-2,3a-propanophenalene

C₁₇H₁₈O₂

Zewge, Daniel Thompson, Hugh W.Lalancette, Roger A.Brunskill, Andrew P. J.

Acta Crystallographica Section E (2006) 62, 1 o11-o12

a=7.9630(10)Å b=13.526(2)Å c=12.159(2)Å

α=90.00° β=96.240(10)° γ=90.00°

Santonic Acid

C₁₅H₂₀O₄

Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 4 566-568

a=7.7910(10)Å b=11.1980(10)Å c=16.986(2)Å

α=90.00° β=90.00° γ=90.00°

(+/-)-10a-Carboxy-1,9,10,10a-tetrahydrophenanthren-3(2H)-one

C₁₅H₁₄O₃

Miller, Alan J.Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 4 563-566

a=9.305(2)Å b=12.780(3)Å c=10.444(3)Å

α=90.00° β=101.79(2)° γ=90.00°

(+-)-1-Indanone-2-acetic Acid

C₁₁H₁₀O₃

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 4 568-572

a=8.9450(10)Å b=10.3180(10)Å c=10.1270(10)Å

α=90.00° β=96.400(10)° γ=90.00°

(+-)-1-Indanone-2-propionic Acid

C₁₂H₁₂O₃

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 4 568-572

a=8.0930(10)Å b=8.3260(10)Å c=15.614(2)Å

α=90.00° β=96.200(10)° γ=90.00°

22,23-Bisnor-5α-cholanic acid-3-one

C₂₂H₃₄O₃

Lalancette, Roger A.Thompson, Hugh W.Brunskill, Andrew P. J.

Acta Crystallographica Section C (1998) 54, 3 421-424

a=12.433(2)Å b=6.6290(10)Å c=24.559(4)Å

α=90.00° β=93.380(10)° γ=90.00°

22,23-Bisnor-5α-cholanic acid-3-one Monohydrate

C₂₂H₃₆O₄

Lalancette, Roger A.Thompson, Hugh W.Brunskill, Andrew P. J.

Acta Crystallographica Section C (1998) 54, 3 421-424

a=12.696(3)Å b=6.168(2)Å c=26.784(7)Å

α=90.00° β=101.26(2)° γ=90.00°

(+\-)-3-indanone-1-acetic acid

C₁₁H₁₀O₃

Thompson, Hugh W.Brunskill, Andrew P. J.Lalancette, Roger A.

Acta Crystallographica Section C (1998) 54, 6 829-831

a=14.140(2)Å b=9.1670(10)Å c=7.2630(10)Å

α=90.00° β=90.00° γ=90.00°

3-oxo-1-cyclohexene-1-carboxylic acid

C₇H₈O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1998) 54, 9 1282-1285

a=9.7030(10)Å b=5.5820(10)Å c=12.7650(10)Å

α=90.00° β=97.900(10)° γ=90.00°

(+)-3-Oxoandrosta-1,4-diene-17β-carboxylic Acid

C₂₀H₂₆O₃

Thompson, Hugh W.Lalancette, Roger A.Brunskill, Andrew P. J.

Acta Crystallographica Section C (1999) 55, 10 1680-1682

a=6.5970(10)Å b=11.4680(10)Å c=11.1030(10)Å

α=90.00° β=91.900(10)° γ=90.00°

(+)-23,24-Dinor-3α,9α-epoxy-11-oxo-5β-cholan-22-oic Acid

C₂₂H₃₂O₄

Thompson, Hugh W.Brunskill, Andrew P. J.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 10 1677-1680

a=10.5880(10)Å b=12.5470(10)Å c=28.989(2)Å

α=90.00° β=90.00° γ=90.00°

(+)-cis-Pinonic Acid

C₁₀H₁₆O₃

Lalancette, Roger A.Thompson, Hugh W.Brunskill, Andrew P. J.

Acta Crystallographica Section C (1999) 55, 11 1908-1911

a=6.6250(10)Å b=11.4760(10)Å c=7.1270(10)Å

α=90.00° β=105.030(10)° γ=90.00°

(+)-4-Androsten-3-one-17β-carboxylic Acid

C₂₀H₂₈O₃

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1997) 53, 7 903-906

a=6.9880(10)Å b=11.2540(10)Å c=11.480(2)Å

α=90.00° β=102.060(10)° γ=90.00°

2,4,5-trimethylbenzoic acid

C₁₀H₁₂O₂

Barcon, Alan Coté, Marie L.Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (1997) 53, 12 1842-1845

a=7.065(2)Å b=7.1990(10)Å c=9.726(2)Å

α=105.610(10)° β=103.460(10)° γ=99.610(10)°

(+\-)-3-Oxoindanecarboxylic Acid

C₁₀H₈O₃

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (1997) 53, 12 1838-1842

a=8.1510(10)Å b=13.426(2)Å c=8.344(2)Å

α=90.00° β=116.040(10)° γ=90.00°

(+\-)-3-Oxoindanecarboxylic Acid Monohydrate

C₁₀H₈O_3,H₂O₁

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (1997) 53, 12 1838-1842

a=5.9840(10)Å b=7.7630(10)Å c=11.0860(10)Å

α=107.290(10)° β=105.320(10)° γ=93.120(10)°

(+-)-exo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid

C₁₅H₁₆O₃

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 11 1905-1908

a=7.646(2)Å b=10.799(4)Å c=15.446(5)Å

α=90.00° β=93.02(2)° γ=90.00°

(+-)-endo3-Benzoylbicyclo[2.2.1]heptane-endo2-carboxylic acid

C₁₅H₁₆O₃

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 11 1905-1908

a=9.866(2)Å b=6.010(3)Å c=21.697(5)Å

α=90.00° β=99.580(10)° γ=90.00°

(+)-3-Oxoglycyrrhetinic acid

C₃₀H₄₄O₄

Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 11 1902-1905

a=7.3850(10)Å b=11.491(2)Å c=15.202(2)Å

α=90.00° β=101.940(10)° γ=90.00°

(+)-trans-Pinononic acid

C₉H₁₄O₃

Barcon, Alan Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 11 1899-1902

a=7.3872(9)Å b=9.6082(13)Å c=7.4972(14)Å

α=90.00° β=115.444(10)° γ=90.00°

(+/-)-4,5-Dihydro-1-oxo-2a(3H)-acenaphthylenecarboxylic acid

C₁₃H₁₂O₃

Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (1997) 53, 5 599-601

a=6.7800(10)Å b=10.229(3)Å c=15.991(2)Å

α=90° β=98.83(2)° γ=90°

(+/-)-α-Tetralonecarboxylic Acid

C₁₁H₁₀O₃

Thompson, Hugh W.Lalancette, Roger A.Brunskill, Andrew P. J.

Acta Crystallographica Section C (1998) 54, 8 1180-1182

a=6.4046(9)Å b=5.2550(8)Å c=27.634(3)Å

α=90.00° β=92.111(8)° γ=90.00°

(+/-)-cis-10-Carboxymethyl-2-decalone

C₁₂H₁₈O₃

Zewge, Daniel Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1998) 54, 11 1651-1653

a=9.182(2)Å b=10.917(2)Å c=21.955(4)Å

α=90.00° β=90.00° γ=90.00°

(+)-3-Oxo-5α-cholan-24-oic Acid

C₂₄H₃₈O₃

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (1999) 55, 3 419-422

a=10.458(2)Å b=7.619(2)Å c=13.280(2)Å

α=90.00° β=91.940(10)° γ=90.00°

(+-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane

C₁₃H₁₉NO₂

Zwege, Daniel Thompson, Hugh W.Brunskill, Andrew P. J.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 8 1370-1373

a=11.966(3)Å b=8.6020(10)Å c=23.688(3)Å

α=90.00° β=101.090(10)° γ=90.00°

(+-)-2-Aza-3,9-dioxotricyclo[4.4.4.0^1,6^]tetradecane

C₁₃H₁₉NO₂

Zwege, Daniel Thompson, Hugh W.Brunskill, Andrew P. J.Lalancette, Roger A.

Acta Crystallographica Section C (1999) 55, 8 1370-1373

a=11.135(2)Å b=7.626(2)Å c=13.580(2)Å

α=90.00° β=90.620(10)° γ=90.00°

(+)-ketopinic acid

C₁₀H₁₄O₃

Lalancette, Roger A.Coté, Marie L.Smith III, William J.Thompson, Hugh W.Vanderhoff, Peggy A.Brunskill, Andrew P. J.Campana, Charles Burshtein, Izya Rose, John P.

Acta Crystallographica Section C (1999) 55, 9 1600-1605

a=7.3630(10)Å b=11.2990(10)Å c=23.502(3)Å

α=90.00° β=90.00° γ=90.00°

(+/-)-ketopinic acid

C₁₀H₁₄O₃

Lalancette, Roger A.Coté, Marie L.Smith III, William J.Thompson, Hugh W.Vanderhoff, Peggy A.Brunskill, Andrew P. J.Campana, Charles Burshtein, Izya Rose, John P.

Acta Crystallographica Section C (1999) 55, 9 1600-1605

a=7.0947(3)Å b=11.8316(6)Å c=12.1662(6)Å

α=72.0130(10)° β=77.0190(10)° γ=86.5460(10)°

(+-)-<i>trans</i>-3-Benzoylbicyclo[2.2.2]octane-2-carboxylic acid

C₁₆H₁₈O₃

Lalancette, Roger A.Thompson, Hugh W.Brunskill, Andrew P. J.

Acta Crystallographica Section E (2008) 64, 9 o1664

a=7.9155(7)Å b=11.1129(9)Å c=14.7559(12)Å

α=90.00° β=93.882(3)° γ=90.00°

[(+/-)-<i>cis</i>-8a-Hydroxy-2-oxoperhydronaphthalen-4a-yl]propanenitrile

C₁₃H₁₉NO₂

Zewge, Daniel Malak, Muhammad H.Thompson, Hugh W.Lalancette, Roger A.Brunskill, Andrew P. J.

Acta Crystallographica Section E (2007) 63, 2 o479-o481

a=5.8894(7)Å b=7.6197(11)Å c=13.4112(17)Å

α=91.860(7)° β=91.695(5)° γ=105.246(6)°

(+/-)-4-(2-Oxo-1,2,3,4,4a,5,6,7-octahydroquinolin-8-yl)butan-2-one

C₁₃H₁₉NO₂

Zewge, Daniel Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section E (2007) 63, 10 o4007-o4008

a=5.4984(2)Å b=10.4062(3)Å c=10.7217(3)Å

α=104.6939(11)° β=97.7636(14)° γ=91.1473(12)°

(+-)-3-Oxocyclopentanecarboxylic acid

C₆H₈O₃

Malak, Muhammad H.Baker, Daniel Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (2006) 62, 12 o669-o670

a=7.8564(8)Å b=7.9812(8)Å c=10.1367(10)Å

α=90.00° β=111.862(5)° γ=90.00°

(-)-3,6-Dioxo-5β-cholanic acid

C₂₄H₃₆O_4,0.5H₂O

Thompson, Hugh W.Lalancette, Roger A.Brunskill, Andrew P. J.

Acta Crystallographica Section C (2001) 57, 5 632-633

a=13.144(3)Å b=7.750(2)Å c=22.415(5)Å

α=90.00° β=100.870(10)° γ=90.00°

(+-)-1-tetralone-2-acetic acid

C₁₂H₁₂O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.Miller, Allan J.

Acta Crystallographica Section C (2001) 57, 3 325-328

a=8.0008(10)Å b=10.579(2)Å c=12.6789(13)Å

α=90.00° β=105.616(8)° γ=90.00°

(+-)-1-tetralone-3-carboxylic acid

C₁₁H₁₀O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.Miller, Allan J.

Acta Crystallographica Section C (2001) 57, 3 325-328

a=6.2645(7)Å b=5.4440(12)Å c=26.170(3)Å

α=90.00° β=91.339(11)° γ=90.00°

7-Oxobicyclo[2.2.1]heptane-1-carboxylic acid

C₈H₁₀O₃

Wong, Jesse K.Macalintal, Rose Ann R.Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2000) 56, 3 371-373

a=6.3714(9)Å b=10.560(2)Å c=11.610(3)Å

α=90.00° β=98.616(14)° γ=90.00°

(+-)-7-oxobicyclo[2.2.1]hept-5-ene-2-endo-carboxylic acid

C₈H₈O₃

Wong, Jesse K.Macalintal, Rose Ann R.Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2000) 56, 3 371-373

a=6.0039(9)Å b=10.5565(14)Å c=22.151(2)Å

α=90.00° β=90.00° γ=90.00°

Cyclohexanone-3-carboxylic acid

C₇H₁₀O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2002) 58, 3 o154-o156

a=6.3346(17)Å b=10.758(3)Å c=11.012(3)Å

α=90.00° β=94.202(17)° γ=90.00°

Cyclohexanone-3-acetic acid

C₈H₁₂O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2002) 58, 3 o154-o156

a=6.625(2)Å b=5.6690(10)Å c=21.841(5)Å

α=90.00° β=90.33(2)° γ=90.00°

(-)-3-oxo-11α(H)-eudesm-4-en-12-oic acid

C₁₅H₂₂O₃

Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (2002) 58, 5 o251-o253

a=10.0225(14)Å b=14.862(2)Å c=10.0873(14)Å

α=90.00° β=110.758(11)° γ=90.00°

(+-)-2,3,4,4a,5,6,7,8-Octahydro-2-oxonaphthalene-1-acetic acid monohydrate

C₁₂H₁₆O_3,H₂O

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (2002) 58, 8 o491-o493

a=15.153(6)Å b=9.386(3)Å c=17.122(6)Å

α=90.00° β=93.629(14)° γ=90.00°

Phenylglyoxylic acid

C₈H₆O₃

Chen, Chung-Der Brunskill, Andrew P. J.Hall, Stan S.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2000) 56, 9 1148-1151

a=7.462(2)Å b=16.513(5)Å c=6.483(3)Å

α=90.00° β=115.32(2)° γ=90.00°

Mesitylglyoxylic acid

C₁₁H₁₂O₃

Chen, Chung-Der Brunskill, Andrew P. J.Hall, Stan S.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2000) 56, 9 1148-1151

a=9.1210(10)Å b=9.1210(10)Å c=10.5760(10)Å

α=90.00° β=90.00° γ=120.00°

4-Oxocyclohexanecarboxylic acid

C₇H₁₀O_3,H₂O

Barcon, Alan Brunskill, Andrew P. J.Thompson, Hugh W.Lalancette, Roger A.

Acta Crystallographica Section C (2004) 60, 2 o140-o142

a=6.7298(8)Å b=7.2091(11)Å c=8.4367(12)Å

α=85.928(13)° β=83.075(17)° γ=82.132(16)°

5-oxocyclooctanecarboxylic acid

C₉H₁₄O₃

Lalancette, Roger A.Brunskill, Andrew P. J.Thompson, Hugh W.

Acta Crystallographica Section C (2000) 56, 10 1260-1262

a=6.7449(8)Å b=9.8755(13)Å c=13.878(2)Å

α=81.586(10)° β=86.189(10)° γ=88.519(9)°

(+)-Gibberellin C

C₁₉H₂₄O_6,H₂O

Thompson, Hugh W.Brunskill, Andrew P. J.Lalancette, Roger A.

Acta Crystallographica Section C (2000) 56, 12 1507-1509

a=9.7300(10)Å b=10.661(2)Å c=17.898(3)Å

α=90.00° β=90.00° γ=90.00°

(-)-dioxosantadienic acid

C₁₅H₁₈O₄

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2001) 57, 9 1075-1078

a=7.6790(10)Å b=14.644(2)Å c=12.4610(10)Å

α=90° β=96.430(10)° γ=90°

(-)-dioxosantadienic acid monohydrate

C₁₅H₁₈O_4,H₂O

Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section C (2001) 57, 9 1075-1078

a=8.7200(10)Å b=18.170(3)Å c=9.589(2)Å

α=90° β=100.13(2)° γ=90°

4-Oxocyclohexaneacetic acid

C₈H₁₂O₃

Barcon, Alan Brunskill, Andrew P. J.Lalancette, Roger A.Thompson, Hugh W.

Acta Crystallographica Section E (2010) 66, 10 o2576-o2577

a=6.8531(12)Å b=6.8531(12)Å c=17.372(3)Å

α=90.00° β=90.00° γ=90.00°

(η^2^,η^2^-Tetraphenylcyclopentadienone)-tricarbonyl-iron methylene chloride solvate

C₃₂H₂₀Fe₁O_4,C₁H₂Cl₂

Lehnherr, Dan Ji, Yining Neel, Andrew J.Cohen, Ryan D.Brunskill, Andrew P. J.Yang, Junyu Reibarkh, Mikhail

Journal of the American Chemical Society (2018) 140, 42 13843-13853

a=10.2420(2)Å b=11.6419(2)Å c=23.9124(5)Å

α=90° β=102.0253(10)° γ=90°

(1S,2R,4S,5R)-2-((S)-hydroxy(1-methylquinolin-1-ium-4-yl) methyl)-1-(4-nitrobenzyl)-5-vinylquinuclidin-1-ium Iodide Bromide Monohydrate

C₂₇H₃₃BrIN₃O₄

He, Cyndi Qixin Simon, Adam Lam, Yu-Hong Brunskill, Andrew P. J.Yasuda, Nobuyoshi Tan, Jiajing Hyde, Alan M.Sherer, Edward C.Houk, K. N.

The Journal of organic chemistry (2017) 82, 16 8645-8650

a=12.2306(4)Å b=9.0943(3)Å c=13.4271(5)Å

α=90° β=114.0924(8)° γ=90°