Information card for entry 2225056

Structure parameters

• Chemical name: 6β, 15β-Diacetoxy-1β, 7β, 13α-trihydroxy-7α, 20-epoxy- <i>ent</i>-kaur-16-ene
• Formula: C24 H34 O8
• Calculated formula: C24 H34 O8
• SMILES: O1[C@]2(O)[C@@H](OC(=O)C)[C@@H]3C(CC[C@@H](O)[C@]3([C@H]3[C@@]42C[C@@](O)(CC3)C(=C)[C@H]4OC(=O)C)C1)(C)C
• Title of publication: 6β,15β-Diacetoxy-1β,7β,13α-trihydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene
• Authors of publication: Di, Xue-Mei; Yan, Fu-Lin; Feng, Chuang; Cui, Jian-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o359
• a: 10.295 ± 0.002 Å
• b: 13.696 ± 0.003 Å
• c: 15.802 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2228.1 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0312
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes