Information card for entry 2216712

Structure parameters

• Common name: 1,3,7-trideacetylkhivorin
• Chemical name: 14,15β:21,23-diepoxy-1α,3α,7α-trihydroxy-4,4,8-trimethyl-D-homo-24- nor-17-oxochola-20,22-diene-16-one
• Formula: C26 H36 O7
• Calculated formula: C26 H36 O7
• Title of publication: 1,3,7-Trideacetylkhivorin
• Authors of publication: Huaping Zhang; Don VanDerveer; Xi Wang; Feng Chen; Michael J. Wargovich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4599 - o4599
• a: 9.856 ± 0.002 Å
• b: 14.492 ± 0.003 Å
• c: 15.714 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2244.5 ± 0.8 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes