Information card for entry 1512145

Structure parameters

• Formula: C13 H25 O4.5
• Calculated formula: C13 H25 O4.5
• SMILES: C1(C[C@@H]([C@H]([C@H]([C@@]1(/C=C/[C@@H](C)O)O)C)O)O)(C)C.O
• Title of publication: Wilsonols A-L, Megastigmane Sesquiterpenoids from the Leaves of Cinnamomum wilsonii.
• Authors of publication: Shu, Penghua; Wei, Xialan; Xue, Yongbo; Li, Weijie; Zhang, Jinwen; Xiang, Ming; Zhang, Mengke; Luo, Zengwei; Li, Yan; Yao, Guangmin; Zhang, Yonghui
• Journal of publication: Journal of natural products
• Year of publication: 2013
• Journal volume: 76
• Journal issue: 7
• Pages of publication: 1303 - 1312
• a: 13.0378 ± 0.0015 Å
• b: 17.163 ± 0.003 Å
• c: 6.2782 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1404.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No