Information card for entry 2002051

Structure parameters

• Formula: C21 H28 O4
• Calculated formula: C21 H28 O4
• SMILES: O=C1CC[C@@]2(C(=C1)C[C@@H]([C@H]1[C@H]2CC[C@@]2([C@]1(O)CC=C2C(=O)C)C)O)C
• Title of publication: Structure of pregna-4,16-diene-7α,14α-diol-3,20-dione
• Authors of publication: Dastidar, P.; Joseph, T.; Madyastha, K. M.; Guru Row, T. N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 62 - 64
• a: 7.136 ± 0.001 Å
• b: 12.342 ± 0.001 Å
• c: 20.049 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1765.8 ± 0.4 ų
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No