Information card for entry 8100545

Structure parameters

• Formula: C21 H30 O2
• Calculated formula: C21 H30 O2
• SMILES: O(C1=CC2=CC[C@@H]3[C@@H]([C@]2(CC1)C)CC[C@]1([C@H]3CCC1=O)C)CC
• Title of publication: Crystal structure of the steroid 3-ethoxyandrosta-3,5-dien-17-one, C~21~H~30~O~2~
• Authors of publication: Tiekink, E. R. T.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2002
• Journal volume: 217
• Journal issue: 1
• Pages of publication: 81 - 82
• a: 6.707 ± 0.002 Å
• b: 7.519 ± 0.002 Å
• c: 17.868 ± 0.002 Å
• α: 90°
• β: 93.7 ± 0.01°
• γ: 90°
• Cell volume: 899.3 ± 0.3 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No