Information card for entry 2224831

Structure parameters

• Chemical name: 1α,6β,7β,14β,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@@]42[C@H](O)[C@@H](CC3)C(=C)[C@H]4O)C1)(C)C
• Title of publication: 1α,6β,7β,14β,15β-Pentahydroxy-7α,20-epoxy-<i>ent</i>-kaur-16-ene
• Authors of publication: Feng, Chuang; Yan, Fu-Lin; Di, Xue-Mei; Sun, Peng-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o103
• a: 8.0007 ± 0.0003 Å
• b: 10.7161 ± 0.0006 Å
• c: 20.7759 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1781.25 ± 0.14 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: 0.0334
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0696
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes