Information card for entry 2228726

Structure parameters

• Chemical name: (3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)- 3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol
• Formula: C36 H58 O8
• Calculated formula: C36 H58 O8
• SMILES: CC(C)([C@@H]1CC[C@@]([C@@H]2CC[C@]3(C)[C@@]4(C)C[C@H]([C@H]5[C@@]([C@@H]4C[C@@H]([C@@H]23)OC(=O)C)(C)CC[C@H](C5(C)C)OC(=O)C)OC(=O)C)(C)O1)O
• Title of publication: (3<i>R</i>,6<i>R</i>,12<i>R</i>,20<i>S</i>,24<i>S</i>)-3,6,12-Triacetyl-20,24-epoxydammarane-3,6,12,25-tetraol
• Authors of publication: Guo, Huan-Mei; Wang, Liang; Wang, Nan; Zhang, Jiang-Feng; Meng, Qing-Guo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o59
• a: 7.6936 ± 0.0011 Å
• b: 16.151 ± 0.002 Å
• c: 28.439 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3533.8 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0666
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes