Information card for entry 2009083

Structure parameters

• Chemical name: (6'R)‒6'‒Methyl‒2',5'‒dioxo‒(17R)spiro[11β‒hydroxy-androst‒4‒en‒ 3‒one‒17,3'‒[1,4]‒dioxane]
• Formula: C23 H30 O6
• Calculated formula: C23 H30 O6
• SMILES: O=C1CC[C@]2(C(=C1)CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2([C@H]1CC[C@]12OC(=O)[C@H](OC1=O)C)C)C
• Title of publication: The 17-spiro lactide of cortienic acid: a probe for studying the active sites of steroidal receptors
• Authors of publication: Asiloé J. Mora; Belkis M. Ramírez; Gerzon Delgado; Roy Little
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1870 - 1873
• a: 25.869 ± 0.008 Å
• b: 12.494 ± 0.004 Å
• c: 6.198 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2003.2 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• 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
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.1542
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No