Information card for entry 1512144

Structure parameters

• Formula: C13 H26 O5
• Calculated formula: C13 H26 O5
• 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: 6.0818 ± 0.0002 Å
• b: 19.4319 ± 0.0007 Å
• c: 12.9792 ± 0.0004 Å
• α: 90°
• β: 90.883 ± 0.002°
• γ: 90°
• Cell volume: 1533.71 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0324
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0914
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No