Information card for entry 7153089

Structure parameters

• Formula: C20 H28 O2
• Calculated formula: C20 H28 O2
• SMILES: C1[C@@H]2C(=O)[C@@]3(C)CC[C@@H]4[C@@]5(C)CC[C@H](O)CC5=CC[C@H]4[C@H]3[C@H]12
• Title of publication: A facile total synthesis of drospirenone isomers containing 14β-hydrogen configuration.
• Authors of publication: Wan, Wen; Ma, Guobin; Gao, Wei; Wang, Jing; Li, Lei; Rao, Shangqin; Zheng, Chunfang; Jiang, Haizhen; Deng, Hongmei; Hao, Jian
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 38
• Pages of publication: 6597 - 6603
• a: 6.176 ± 0.008 Å
• b: 11.293 ± 0.015 Å
• c: 12.236 ± 0.016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 853.4 ± 1.9 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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
• Residual factor for all reflections: 0.1648
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 0.896
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No