Information card for entry 2210992

Structure parameters

• Chemical name: 11α,12β-acetonyltenacigenin B 3-O-6-deoxy -3-O-methyl-β-D-allopyranosyl-(1\ρightarrow4)-β-D-oleandropyranoside acetone solvate
• Formula: C41 H66 O13
• Calculated formula: C41 H66 O13
• Title of publication: 11α,12β-Acetonyltenacissoside F acetone solvate: a new polyoxypregnane glycoside from the stems of <i>Marsdenia tenacissima</i>
• Authors of publication: Qi-Fa Li; Xiao-Ling Wang; Kai-Bei Yu; Shu-Lin Peng; Li-Sheng Ding
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5255 - o5256
• a: 6.328 ± 0.001 Å
• b: 10.558 ± 0.002 Å
• c: 17.553 ± 0.004 Å
• α: 74.57 ± 0.02°
• β: 81.76 ± 0.02°
• γ: 79.03 ± 0.02°
• Cell volume: 1104.5 ± 0.4 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 3
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes