Information card for entry 2225752

Structure parameters

• Chemical name: 15α,20β-Dihydroxy-6β-methoxy-6,7-seco-6,20-epoxy-1,7-olide- <i>ent</i>-kaur-16-ene
• Formula: C21 H30 O6
• Calculated formula: C21 H30 O6
• SMILES: CO[C@@H]1O[C@@H]([C@]23[C@H]1C(C)(C)CC[C@@H]2OC(=O)[C@]12[C@H]3CC[C@H](C1)C(=C)[C@H]2O)O
• Title of publication: 15α,20β-Dihydroxy-6β-methoxy-6,7-seco-6,20-epoxy-1,7-olide-<i>ent</i>-kaur-16-ene
• Authors of publication: Yan, Fu-Lin; Zhan, He-Qin; Feng, Chuang; Di, Xue-Mei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o930
• a: 13.145 ± 0.003 Å
• b: 10.787 ± 0.002 Å
• c: 14.074 ± 0.003 Å
• α: 90°
• β: 105.553 ± 0.003°
• γ: 90°
• Cell volume: 1922.6 ± 0.7 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0349
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0785
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes