Information card for entry 8107457

Structure parameters

• Chemical name: (4a<i>R</i>,7<i>S</i>)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro -2<i>H</i>,6<i>H</i>-8a,4a-(epoxymethano)phenanthren-12-one
• Formula: C20 H32 O3
• Calculated formula: C20 H32 O3
• Title of publication: Synthesis and crystal structure of (4aR,7S)-7-hydroxy-7-isopropyl-1,1-dimethyldecahydro-2H,6H-8a,4a-(epoxymethano)phenanthren-12-one, C20H32O3
• Authors of publication: Chen, Ren-Song; Zhang, Jing-Jie; Zhang, Yi; Xu, Chuan-Yan; Ye, Jiang-Hai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2023
• Journal volume: 238
• Journal issue: 3
• Pages of publication: 417 - 419
• a: 7.8981 ± 0.0017 Å
• b: 10.302 ± 0.002 Å
• c: 11.028 ± 0.003 Å
• α: 90°
• β: 90.02 ± 0.002°
• γ: 90°
• Cell volume: 897.3 ± 0.4 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: 0.1349
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No