Information card for entry 8105570

Structure parameters

• Formula: C30 H48 O3
• Calculated formula: C30 H48 O3
• SMILES: C1CC(=O)C([C@@H]2CC[C@@]3([C@@H]([C@@]12C)CC(=O)[C@H]1[C@]3(CC[C@@H]1[C@@]1(C)CCCC(C)(C)O1)C)C)(C)C
• Title of publication: Crystal structure of (20R)-20,25-epoxy-dammaran-3,12-dione, C30H48O3
• Authors of publication: Deng, Jian-Qiang; Mu, Xiao-Dong; Zhao, Ruo-Lin; Liu, Zhi; Tang, Hang-Jun; He, Meng; Meng, Qing-Guo
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 234
• Journal issue: 1
• Pages of publication: 145 - 147
• a: 7.871 ± 0.0016 Å
• b: 13.8 ± 0.003 Å
• c: 24.561 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2667.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction 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: 0.0684
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 1.239
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No