Information card for entry 8106312

Structure parameters

• Formula: C20 H30 O8
• Calculated formula: C20 H30 O8
• SMILES: O1[C@]2(O)[C@]34[C@@H]([C@@]5([C@@H]([C@H]2O)C(CC[C@H]5O)(C)C)C1=O)CC[C@@H]([C@@H]4O)C(=C)[C@@H]3O.O
• Title of publication: Crystal structure of Ent-7β,20-epoxy-kaur-16-en-1β,6α,7α,14α,15α-pentaol-20-one, C20H30O8
• Authors of publication: Ye, Jiang-Hai; Zhao, Chen-Liang; Zou, Juan; He, Kang; Teng, Chao-Jie; Pan, Lu-Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 5
• Pages of publication: 827 - 828
• a: 21.684 ± 0.013 Å
• b: 7.275 ± 0.004 Å
• c: 14.32 ± 0.009 Å
• α: 90°
• β: 118.975 ± 0.011°
• γ: 90°
• Cell volume: 1976 ± 2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0423
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0889
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No