Information card for entry 1503702

Structure parameters

• Formula: C29 H36 O11
• Calculated formula: C29 H36 O11
• SMILES: O1[C@@]23[C@@H](C[C@H](O)[C@H]4[C@@](O[C@@H]5CC(=O)O[C@]45C3)(CO)C)C(=O)[C@]31O[C@H]1[C@H](OC(=O)[C@H]1C)[C@@H]1[C@H]3[C@](CC2)(C(=O)[C@H]1C)C
• Title of publication: Bioactive Nortriterpenoids from Schisandra grandiflora.
• Authors of publication: Xiao, Wei-Lie; Gong, Yan-Qing; Wang, Rui-Rui; Weng, Zhi-Ying; Luo, Xiao; Li, Xiao-Nian; Yang, Guang-Yu; He, Fei; Pu, Jian-Xin; Yang, Liu-Meng; Zheng, Yong-Tang; Lu, Yang; Sun, Han-Dong
• Journal of publication: Journal of natural products
• Year of publication: 2009
• Journal volume: 72
• Journal issue: 9
• Pages of publication: 1678 - 1681
• a: 10.825 ± 0.001 Å
• b: 11.335 ± 0.001 Å
• c: 22.723 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2788.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0428
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1041
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No