Structures by: Desiraju G. R.


Structures by: Desiraju G. R.

Results: 614


#NameUnit Cell
15135691.5(C10H8N2),1(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=8.7711(6)
b=10.0113(10)
c=12.0057(9)
α= 67.978(8)
β= 78.030(6)
γ= 69.224(8)
V = 910.38(15)
15135703(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.2233(3)
b=36.2938(12)
c=16.5853(5)
α= 90
β= 97.827(3)
γ= 90
V = 5500.2(3)
15135713(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.2233(3)
b=36.2938(12)
c=16.5853(5)
α= 90
β= 97.827(3)
γ= 90
V = 5500.2(3)
15135723(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.0828(3)
b=12.3446(4)
c=16.6095(4)
α= 90
β= 96.320(2)
γ= 90
V = 1851.00(10)
15135733(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.1180(3)
b=12.3427(4)
c=16.6400(4)
α= 90
β= 96.381(3)
γ= 90
V = 1861.08(10)
15135743(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.1938(4)
b=12.3828(6)
c=16.7311(8)
α= 90
β= 96.358(4)
γ= 90
V = 1893.04(15)
15135753(C10H8N2),2(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=9.2118(2)
b=36.2075(7)
c=16.5458(4)
α= 90
β= 97.923(2)
γ= 90
V = 5465.9(2)
15135764(C10H8N2),4(C7H8O2)
IUCrJ (2014) 1, 1 8-18
a=17.8201(5)
b=8.3288(2)
c=39.3222(9)
α= 90
β= 91.901(2)
γ= 90
V = 5833.0(3)
15135773,4-dichlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.127(9)
b=26.127(9)
c=3.7926(9)
α= 90.00
β= 90.00
γ= 90.00
V = 2588.9(14)
15135783,4-dichlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.186(8)
b=26.186(8)
c=3.8144(8)
α= 90.00
β= 90.00
γ= 90.00
V = 2615.6(13)
15135793,4-dichlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.251(10)
b=26.251(10)
c=3.8524(11)
α= 90.00
β= 90.00
γ= 90.00
V = 2654.7(16)
15135804-bromo-3-chlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.419(5)
b=26.419(5)
c=3.8824(6)
α= 90.00
β= 90.00
γ= 90.00
V = 2709.8(8)
15135814-bromo-3-chlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.465(5)
b=26.465(5)
c=3.9017(6)
α= 90.00
β= 90.00
γ= 90.00
V = 2732.7(8)
15135824-bromo-3-chlorophenol
IUCrJ (2014) 1, 1 49-60
a=26.65(3)
b=26.65(3)
c=3.965(3)
α= 90.00
β= 90.00
γ= 90.00
V = 2816(5)
15135833-bromo-4-chlorophenol
IUCrJ (2014) 1, 1 49-60
a=11.457(3)
b=4.1113(9)
c=15.233(4)
α= 90.00
β= 108.905(8)
γ= 90.00
V = 678.8(3)
15135844-chloro-3-iodophenol
IUCrJ (2014) 1, 1 49-60
a=11.222(18)
b=4.263(7)
c=15.81(3)
α= 90.00
β= 106.933(19)
γ= 90.00
V = 724(2)
15135854-chloro-3-iodophenol
IUCrJ (2014) 1, 1 49-60
a=11.242(18)
b=4.286(7)
c=15.87(2)
α= 90.00
β= 107.016(18)
γ= 90.00
V = 731.2(19)
15135864-chloro-3-iodophenol
IUCrJ (2014) 1, 1 49-60
a=11.26(2)
b=4.321(8)
c=15.88(3)
α= 90.00
β= 106.74(2)
γ= 90.00
V = 740(2)
15135873,5-dibromophenol
IUCrJ (2014) 1, 1 49-60
a=11.169(2)
b=4.2067(8)
c=14.911(3)
α= 90.00
β= 91.070(6)
γ= 90.00
V = 700.5(2)
15135882,3,5-trichlorosalicylic acid
IUCrJ (2014) 1, 1 49-60
a=4.9531(14)
b=24.020(6)
c=8.007(3)
α= 90.00
β= 118.88(2)
γ= 90.00
V = 834.1(5)
15135892,3,5-trichlorosalicylic acid
IUCrJ (2014) 1, 1 49-60
a=4.9712(14)
b=24.094(5)
c=8.0459(19)
α= 90.00
β= 118.884(15)
γ= 90.00
V = 843.8(4)
15135902,3,5-trichlorosalicylic acid
IUCrJ (2014) 1, 1 49-60
a=4.9790(11)
b=24.298(6)
c=8.0971(17)
α= 90.00
β= 119.108(12)
γ= 90.00
V = 855.9(4)
15135914-chlorobenzoic acid
IUCrJ (2014) 1, 1 49-60
a=3.8017(8)
b=6.1607(12)
c=14.208(3)
α= 92.417(7)
β= 94.718(7)
γ= 92.286(7)
V = 331.03(12)
15135924-chlorobenzoic acid
IUCrJ (2014) 1, 1 49-60
a=3.8208(7)
b=6.1785(12)
c=14.209(3)
α= 92.591(7)
β= 94.866(7)
γ= 91.978(7)
V = 333.63(11)
15135934-chlorobenzoic acid
IUCrJ (2014) 1, 1 49-60
a=3.8686(13)
b=6.227(2)
c=14.243(5)
α= 92.794(7)
β= 95.149(7)
γ= 91.493(6)
V = 341.2(2)
1515581Aspirin form II
Chemical Science (2011) 2, 11 2236
a=12.1016(4)
b=6.4721(2)
c=11.3344(4)
α= 90.00
β= 111.593(1)
γ= 90.00
V = 825.44(5)
1515582Aspirin form II
Chemical Science (2011) 2, 11 2236
a=12.3578(7)
b=6.5315(8)
c=11.4964(7)
α= 90.00
β= 112.436(3)
γ= 90.00
V = 857.69(13)
15161894-Flurobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.816(6)
b=6.3759(11)
c=26.571(4)
α= 90
β= 94.353(18)
γ= 90
V = 644.6(10)
15161903-fluorobenzoic acid:Isonicotinamide
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=22.913(2)
b=5.2046(5)
c=20.0132(18)
α= 90
β= 100.212(7)
γ= 90
V = 2348.8(4)
15161914-Flurobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7812(8)
b=6.3418(13)
c=26.539(5)
α= 90
β= 94.11(3)
γ= 90
V = 634.8(2)
15161922-fluorobenzoic acid:Isonicotinamide
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=7.0275(9)
b=7.4474(9)
c=12.6005(16)
α= 74.371(5)
β= 87.185(6)
γ= 70.004(5)
V = 596.12(13)
15161932-fluorobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=6.5525(13)
b=3.7524(8)
c=25.021(5)
α= 90
β= 92.82(3)
γ= 90
V = 614.5(2)
1516194p-flurobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7041(2)
b=6.2642(4)
c=26.6604(17)
α= 90
β= 92.960(3)
γ= 90
V = 617.78(6)
15161954-fluorobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7411(7)
b=6.3050(13)
c=26.564(5)
α= 90
β= 93.54(3)
γ= 90
V = 625.4(2)
15161964-fluorobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=3.7637(8)
b=6.3314(13)
c=26.607(5)
α= 90
β= 93.76(3)
γ= 90
V = 632.7(2)
15161973-fluorobenzoic acid
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=6.7465(13)
b=3.7192(7)
c=24.285(5)
α= 90
β= 92.91(3)
γ= 90
V = 608.6(2)
15161984-flurobenzoic acid:Isonicotinamide
The journal of physical chemistry. A (2011) 115, 45 12852-12863
a=22.046(3)
b=5.2078(6)
c=20.995(3)
α= 90
β= 95.888(8)
γ= 90
V = 2397.7(5)
1542784C39H46N6O7
IUCrJ (2015) 2, 4 402-408
a=9.0760(13)
b=8.9616(13)
c=22.501(3)
α= 90
β= 93.554(7)
γ= 90
V = 1826.6(4)
1542785C31H34N4O7
IUCrJ (2015) 2, 4 402-408
a=15.831(2)
b=9.3122(13)
c=20.211(3)
α= 90
β= 104.415(7)
γ= 90
V = 2885.7(7)
1542786C27H30N2O9
IUCrJ (2015) 2, 4 402-408
a=9.3506(7)
b=10.9120(8)
c=13.0020(10)
α= 76.798(5)
β= 84.048(6)
γ= 81.580(6)
V = 1274.26(17)
1542787C27H30N2O8
IUCrJ (2015) 2, 4 402-408
a=9.3202(10)
b=10.7538(12)
c=12.9869(14)
α= 79.471(6)
β= 85.133(6)
γ= 82.377(6)
V = 1266.0(2)
1542788C29H26N2O9
IUCrJ (2015) 2, 4 402-408
a=9.8334(7)
b=10.7098(8)
c=13.0790(9)
α= 102.815(7)
β= 95.031(7)
γ= 106.846(7)
V = 1268.30(17)
1542789C29H18N2O8
IUCrJ (2015) 2, 4 402-408
a=9.806(2)
b=10.778(2)
c=13.055(3)
α= 102.833(7)
β= 94.525(7)
γ= 106.943(7)
V = 1271.6(5)
1542790C30H22N3O7
IUCrJ (2015) 2, 4 402-408
a=9.844(5)
b=10.636(6)
c=13.071(7)
α= 98.324(7)
β= 94.601(7)
γ= 107.947(8)
V = 1276.9(12)
1542791C45H36N6O8
IUCrJ (2015) 2, 4 402-408
a=10.0222(12)
b=12.8756(16)
c=15.0597(18)
α= 81.685(6)
β= 83.118(6)
γ= 76.273(5)
V = 1860.6(4)
1542792C31H28N2O9
IUCrJ (2015) 2, 4 402-408
a=10.1899(9)
b=11.6532(11)
c=13.0214(12)
α= 97.351(7)
β= 95.446(7)
γ= 115.237(8)
V = 1367.8(2)
1542793C31H28N2O8
IUCrJ (2015) 2, 4 402-408
a=10.0381(7)
b=11.5707(8)
c=13.0194(9)
α= 76.744(5)
β= 84.502(6)
γ= 65.573(5)
V = 1340.13(17)
1542794C30H26N3O8
IUCrJ (2015) 2, 4 402-408
a=9.9867(15)
b=11.2949(17)
c=13.040(2)
α= 79.558(6)
β= 85.192(6)
γ= 66.082(5)
V = 1322.2(4)
1542795C39H30N4O7
IUCrJ (2015) 2, 4 402-408
a=18.0656(11)
b=11.6584(6)
c=16.6610(10)
α= 90
β= 115.565(2)
γ= 90
V = 3165.5(3)
1542796C27H20N2O7
IUCrJ (2015) 2, 4 402-408
a=21.831(5)
b=12.904(3)
c=15.876(4)
α= 90
β= 101.912(7)
γ= 90
V = 4376.1(18)
1542797C31H30N2O8
IUCrJ (2015) 2, 4 402-408
a=9.8782(8)
b=11.5881(10)
c=13.0410(10)
α= 76.595(5)
β= 85.792(6)
γ= 67.035(5)
V = 1336.8(2)
1542798C39H34N4O7
IUCrJ (2015) 2, 4 402-408
a=20.028(3)
b=10.5025(13)
c=16.5786(18)
α= 90
β= 108.851(4)
γ= 90
V = 3300.2(7)
1542799C27H22N2O7
IUCrJ (2015) 2, 4 402-408
a=13.3624(4)
b=10.5540(4)
c=32.5542(10)
α= 90
β= 95.517(3)
γ= 90
V = 4569.7(3)
1542800C29H26N4O8
IUCrJ (2015) 2, 4 402-408
a=10.0918(17)
b=11.4244(19)
c=13.052(2)
α= 98.573(7)
β= 95.190(7)
γ= 115.078(8)
V = 1327.7(4)
1542801C25H18N4O7
IUCrJ (2015) 2, 4 402-408
a=21.647(3)
b=12.8623(16)
c=15.712(2)
α= 90
β= 101.543(7)
γ= 90
V = 4286.2(10)
1542802C31H26N2O9
IUCrJ (2015) 2, 4 402-408
a=8.1859(13)
b=12.787(2)
c=13.173(2)
α= 83.634(6)
β= 83.848(6)
γ= 73.246(5)
V = 1308.1(4)
1542803C33H22N3O7
IUCrJ (2015) 2, 4 402-408
a=8.416(3)
b=12.297(4)
c=13.111(4)
α= 87.100(6)
β= 84.103(6)
γ= 73.503(5)
V = 1293.8(7)
1542804C58H42N7O8
IUCrJ (2015) 2, 4 402-408
a=9.9945(3)
b=13.4346(4)
c=17.8220(5)
α= 81.0160(10)
β= 78.3350(10)
γ= 86.0460(10)
V = 2313.09(12)
1542805C33H22N3O8
IUCrJ (2015) 2, 4 402-408
a=9.4800(7)
b=11.2614(9)
c=13.5129(10)
α= 104.785(4)
β= 108.855(4)
γ= 90.687(4)
V = 1312.95(18)
1542806C33H22N3O7
IUCrJ (2015) 2, 4 402-408
a=4.983
b=15.381
c=18.142
α= 112.21
β= 94.99
γ= 94.92
V = 1271.766
1542807C29H21N2O7S
IUCrJ (2015) 2, 4 402-408
a=9.8066(9)
b=10.4874(10)
c=13.0073(12)
α= 97.993(7)
β= 94.646(7)
γ= 108.150(8)
V = 1247.8(2)
1542808C69H50N6O14S6
IUCrJ (2015) 2, 4 402-408
a=12.547(2)
b=13.299(2)
c=18.490(3)
α= 94.246(7)
β= 90.204(6)
γ= 98.776(7)
V = 3040.5(8)
1542809C30H20N2O7S
IUCrJ (2015) 2, 4 402-408
a=9.974
b=11.421
c=13.009
α= 78.51
β= 85.22
γ= 66.39
V = 1330.627
1542810C90H63N6O14
IUCrJ (2015) 2, 4 402-408
a=12.664
b=13.235
c=22.191
α= 104.03
β= 96.59
γ= 104.04
V = 3440.593
1542811C34H24N2O7
IUCrJ (2015) 2, 4 402-408
a=10.5919(6)
b=11.6067(6)
c=11.6919(7)
α= 85.133(4)
β= 72.938(3)
γ= 75.632(3)
V = 1331.01(13)
1542835C11H12O4
IUCrJ (2015) 2, 6 653-660
a=11.216(6)
b=8.214(6)
c=14.073(12)
α= 90.00
β= 128.86(3)
γ= 90.00
V = 1009.6(13)
1542836C22H24O8
IUCrJ (2015) 2, 6 653-660
a=5.540(4)
b=8.259(5)
c=11.281(9)
α= 83.61(2)
β= 83.275(17)
γ= 74.48(2)
V = 492.2(6)
1542845C6H3Cl3O,C6H6ClN
IUCrJ (2014) 1, 4 228-239
a=7.0243(14)
b=9.4152(18)
c=10.928(2)
α= 82.750(6)
β= 79.147(6)
γ= 76.703(5)
V = 688.2(2)
1542846C6H3Cl3O,C6H6ClN
IUCrJ (2014) 1, 4 228-239
a=6.9676(7)
b=21.336(2)
c=9.1861(10)
α= 90.00
β= 99.139(7)
γ= 90.00
V = 1348.3(2)
1542847C6H3Cl3O,C6H5Cl2N
IUCrJ (2014) 1, 4 228-239
a=7.0572(6)
b=15.4665(13)
c=13.2112(11)
α= 90.00
β= 98.980(7)
γ= 90.00
V = 1424.3(2)
1542848C6H3Cl3O,C6H5Cl2N
IUCrJ (2014) 1, 4 228-239
a=22.638(5)
b=7.2553(11)
c=18.013(3)
α= 90.00
β= 90.767(9)
γ= 90.00
V = 2958.3(9)
1542849C6H3Cl3O,C6H4Cl2N
IUCrJ (2014) 1, 4 228-239
a=7.0681(6)
b=9.5008(8)
c=11.4095(9)
α= 85.402(6)
β= 83.071(6)
γ= 71.211(5)
V = 719.36(11)
1542850C6H3Cl3O,C6H6BrN
IUCrJ (2014) 1, 4 228-239
a=7.0562(15)
b=9.373(2)
c=11.110(2)
α= 83.358(6)
β= 79.173(6)
γ= 76.588(5)
V = 700.0(2)
1542851C6H3Cl3O,C6H6IN
IUCrJ (2014) 1, 4 228-239
a=7.083(3)
b=9.354(4)
c=11.456(5)
α= 84.118(7)
β= 79.555(7)
γ= 76.553(7)
V = 724.5(5)
1542852C6H4ClIN,C6H3Cl3O
IUCrJ (2014) 1, 4 228-239
a=7.107(2)
b=9.498(3)
c=11.827(3)
α= 85.425(6)
β= 81.804(6)
γ= 71.851(5)
V = 750.4(4)
1542853C6H3Cl3O,C6H6ClN
IUCrJ (2014) 1, 4 228-239
a=7.851(5)
b=11.865(7)
c=14.891(8)
α= 90.00
β= 106.79(3)
γ= 90.00
V = 1328.0(14)
1542854C6H3Cl3O,C6H6ClN
IUCrJ (2014) 1, 4 228-239
a=7.208(9)
b=9.333(10)
c=10.884(13)
α= 99.035(14)
β= 107.107(6)
γ= 102.219(10)
V = 664.8(14)
1542855C6H3Cl3O,C6H5Cl2N
IUCrJ (2014) 1, 4 228-239
a=7.1441(8)
b=9.3027(10)
c=11.8726(13)
α= 77.966(5)
β= 74.889(5)
γ= 77.979(5)
V = 735.06(14)
1542856C6H3Cl3O,C6H5Cl2N
IUCrJ (2014) 1, 4 228-239
a=7.2060(8)
b=9.2558(10)
c=11.3203(12)
α= 99.693(7)
β= 99.616(7)
γ= 101.387(7)
V = 713.76(14)
1542857C7H6O3,C7H8N2O
IUCrJ (2014) 1, 4 228-239
a=24.698(2)
b=5.1072(5)
c=20.6682(19)
α= 90.00
β= 99.673(12)
γ= 90.00
V = 2570.0(4)
1542858C7H6O3,C7H8N2O
IUCrJ (2014) 1, 4 228-239
a=12.410(15)
b=5.124(6)
c=20.06(2)
α= 90.00
β= 92.901(14)
γ= 90.00
V = 1274(2)
2001593C9H7IO2
Acta Crystallographica Section C (1993) 49, 6 1107-1111
a=4.118(2)
b=6.274(4)
c=34.672(2)
α= 90
β= 90.32
γ= 90
V = 895.8(7)
2001962C9H5BrO2
Acta Crystallographica Section C (1993) 49, 2 292-294
a=3.91(2)
b=6.141(2)
c=34.44(3)
α= 90
β= 91.79(5)
γ= 90
V = 827(4)
2003205C17H13NO4
Acta Crystallographica C (1995) 51, 2 265-267
a=8.1610(10)
b=8.2220(10)
c=23.113(2)
α= 93.46(2)
β= 96.88(2)
γ= 113.43(2)
V = 1402.8(3)
20059102,4-Dinitrocinnamic acid
Acta Crystallographica Section C (1997) 53, 2 227-229
a=8.760(9)
b=7.869(5)
c=14.040(10)
α= 90.00
β= 93.12(7)
γ= 90.00
V = 966.4(14)
2008394tri-p-tolyltriazine
Acta Crystallographica Section C (1999) 55, 4 698-700
a=15.005(3)
b=20.397(4)
c=6.3420(13)
α= 90.00
β= 90.00
γ= 90.00
V = 1941.0(7)
20087091,1-di(4-methoxy phenyl)-3,3-dimethyl-2-butanone
Acta Crystallographica Section C (1999) 55, 7 IUC9900073
a=15.423(2)
b=18.571(4)
c=5.8691(8)
α= 90.00
β= 90.00
γ= 90.00
V = 1681.0(5)
2015383saccharin, ethylenedimaine
Acta Crystallographica Section C (2006) 62, 6 o346-o349
a=7.1684(19)
b=9.964(3)
c=13.185(4)
α= 84.557(4)
β= 86.387(4)
γ= 76.149(4)
V = 909.5(5)
2015384 saccharin, 1,4-butyldiamine
Acta Crystallographica Section C (2006) 62, 6 o346-o349
a=9.0016(11)
b=11.2539(13)
c=10.0269(12)
α= 90.00
β= 109.1960(10)
γ= 90.00
V = 959.3(2)
2020509C22H23N3O4
Acta Crystallographica Section B (2016) 72, 3 291-300
a=13.966(5)
b=12.991(4)
c=11.225(4)
α= 90.00
β= 100.931(16)
γ= 90.00
V = 1999.6(12)
2020510C28H33N3O8
Acta Crystallographica Section B (2016) 72, 3 291-300
a=14.2922(18)
b=27.500(3)
c=7.0784(7)
α= 90.00
β= 90.467(7)
γ= 90.00
V = 2782.0(5)
2020511C27H33N3O9
Acta Crystallographica Section B (2016) 72, 3 291-300
a=7.916(10)
b=14.012(15)
c=14.349(14)
α= 61.73(3)
β= 79.64(6)
γ= 86.58(6)
V = 1378(3)
2020512C26H31N3O9
Acta Crystallographica Section B (2016) 72, 3 291-300
a=13.4269(16)
b=24.169(3)
c=8.0606(8)
α= 90.00
β= 92.410(5)
γ= 90.00
V = 2613.5(5)
2020513C23H27N5O5
Acta Crystallographica Section B (2016) 72, 3 291-300
a=21.6051(16)
b=23.7024(18)
c=8.9076(6)
α= 90.00
β= 90.00
γ= 90.00
V = 4561.5(6)
21003811-Formyl-3-thiosemicarbazide
Acta Crystallographica Section B (2006) 62, 1 118-127
a=7.2359(3)
b=7.3713(3)
c=9.4768(4)
α= 90
β= 98.403(2)
γ= 90
V = 500.05(4)
2101032C19H16O
Acta Crystallographica Section B (1993) 49, 5 880-892
a=17.012(2)
b=21.042(2)
c=7.6465(6)
α= 90
β= 90
γ= 90
V = 2737.2(5)
2102175 2,3,5,6-tetrafluoro-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol
Acta Crystallographica Section B (2000) 56, 6 1063-1070
a=8.9002(18)
b=9.2388(18)
c=9.6721(19)
α= 93.73(3)
β= 98.73(3)
γ= 114.46(3)
V = 708.3(3)
2102176 2,3,5,6-tetrachloro-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol
Acta Crystallographica Section B (2000) 56, 6 1063-1070
a=16.758(2)
b=16.758(2)
c=8.865(2)
α= 90.00
β= 90.00
γ= 90.00
V = 2489.6(7)
21021772,3,5,6-tetrabromo-trans-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol
Acta Crystallographica Section B (2000) 56, 6 1063-1070
a=8.9147(3)
b=12.6402(5)
c=12.6547(5)
α= 85.738(1)
β= 69.625(1)
γ= 72.72(1)
V = 1275.75(11)
2102178C17H16O
Acta Crystallographica Section B (2000) 56, 6 1071-1079
a=6.8286(14)
b=8.2407(16)
c=12.658(3)
α= 106.73(3)
β= 98.71(3)
γ= 101.39(3)
V = 652.0(3)