Information card for entry 8105919

Structure parameters

• Formula: C30 H48 O2
• Calculated formula: C30 H48 O2
• SMILES: C1CCC([C@@H]2CC[C@@]3([C@@H]([C@@]12C)CC[C@H]1[C@]3(CC[C@@H]2[C@@]31CC[C@@H]2C(C)(C)OC3=O)C)C)(C)C
• Title of publication: Crystal structure of (4S,4aS,6aR,6bR,12aS,12bR,14aS,14bR)-3,3,6a,6b,9,9,12a-heptamethyloctadecahydro-1H,3H-4,14b-ethanophenanthro[1,2-h]isochromene-1(6bH)-one, C30H48O2
• Authors of publication: He, Kang; Fan, Lin-Lin; Wu, Tian-Tai; Zhang, Qi-Long; Zou, Juan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 5
• Pages of publication: 1005 - 1007
• a: 10.8192 ± 0.0012 Å
• b: 16.4915 ± 0.0017 Å
• c: 28.832 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5144.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.1174
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No