Information card for entry 7223857

Structure parameters

• Formula: C29 H48 O3
• Calculated formula: C29 H48 O3
• SMILES: O[C@H]1[C@@H]2[C@@H]([C@@]3(C(=C1)C[C@@H](O)CC3)C)CC[C@]1([C@H]2CC[C@@H]1[C@@H](/C=C/[C@@H](CCO)C(C)C)C)C
• Title of publication: Phytosteroids and triterpenoids with potent cytotoxicities from the leaves of Chisocheton cumingianus
• Authors of publication: Huang, Shan-shan; Jian, Kai-Li; Li, Rui-Jun; Kong, Ling-Yi; Yang, Ming-Hua
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 8.3207 ± 0.0002 Å
• b: 12.7611 ± 0.0003 Å
• c: 15.3831 ± 0.0005 Å
• α: 65.525 ± 0.003°
• β: 79.918 ± 0.002°
• γ: 90.001 ± 0.002°
• Cell volume: 1458.86 ± 0.08 ų
• Cell temperature: 290 ± 2 K
• Ambient diffraction temperature: 290 ± 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: 0.0526
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1612
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No