Information card for entry 2000144

Structure parameters

• Formula: C32 H38 N2 O5
• Calculated formula: C32 H38 N2 O5
• SMILES: CC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@@H]2[C@]1(C)C[C@H](O)[C@H]1[C@H]2C=C(C2=Cc3c(C[C@]12C)cnn3c1ccccc1)C
• Title of publication: Structure of cortivazol, 11β,17α,21-trihydroxy-6,16α-dimethyl-2'-phenyl-2'<i>H</i>-pregna-2,4,6-trieno[3,2-<i>c</i>]pyrazol-20-one 21-acetate
• Authors of publication: Czerwinski, E. W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1991
• Journal volume: 47
• Journal issue: 12
• Pages of publication: 2598 - 2603
• a: 30.638 ± 0.006 Å
• b: 6.234 ± 0.002 Å
• c: 15.262 ± 0.003 Å
• α: 90°
• β: 93.95 ± 0.02°
• γ: 90°
• Cell volume: 2908.1 ± 1.2 ų
• Number of distinct elements: 4
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No