Information card for entry 1512150

Structure parameters

• Formula: C13 H26 O3
• Calculated formula: C13 H26 O3
• SMILES: C[C@H](CC[C@H]1[C@H](C)[C@H](O)[C@H](CC1(C)C)O)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: 6.7617 ± 0.0003 Å
• b: 7.8646 ± 0.0003 Å
• c: 12.6936 ± 0.0005 Å
• α: 90°
• β: 102.866 ± 0.002°
• γ: 90°
• Cell volume: 658.07 ± 0.05 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No