Information card for entry 2225002

Structure parameters

• Chemical name: 1α,6β,7β,11α,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene
• Formula: C20 H30 O6
• Calculated formula: C20 H30 O6
• SMILES: O1[C@]2(O)[C@@H](O)[C@@H]3C(CC[C@H](O)[C@]3([C@H]3[C@@]42C[C@@H](C[C@H]3O)C(=C)[C@H]4O)C1)(C)C
• Title of publication: 1α,6β,7β,11α,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene
• Authors of publication: Feng, Chuang; Guo, Lan-Qing; Yan, Fu-Lin; Cui, Jian-Min; Di, Xue-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: o334
• a: 21.581 ± 0.011 Å
• b: 6.111 ± 0.003 Å
• c: 14.08 ± 0.007 Å
• α: 90°
• β: 99.129 ± 0.008°
• γ: 90°
• Cell volume: 1833.4 ± 1.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0463
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes