Information card for entry 1548834

Structure parameters

• Formula: C18 H34 O7
• Calculated formula: C18 H34 O7
• SMILES: O[C@H]1[C@H](O)C(=C(/C=C/[C@@H](O)CCCCCCCC)[C@@H](O)[C@@H]1O)CO.O
• Title of publication: Polyoxygenated Cyclohexenoids with Promising α-Glycosidase Inhibitory Activity Produced by Phomopsis sp. YE3250, an Endophytic Fungus Derived from Paeonia delavayi.
• Authors of publication: Huang, Rong; Jiang, Bo-Guang; Li, Xiao-Nian; Wang, Ya-Ting; Liu, Si-Si; Zheng, Kai-Xuan; He, Jian; Wu, Shao-Hua
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2018
• a: 4.668 Å
• b: 9.785 ± 0.0001 Å
• c: 41.7773 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1908.24 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.028
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0742
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No