Information card for entry 1559357

Structure parameters

• Formula: C12 H18 O8
• Calculated formula: C12 H18 O8
• SMILES: O1[C@H](CO[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@@H]12)CO)C(=C)C(=O)OC
• Title of publication: Hydroxylated Ethacrylic and Tiglic Acid Derivatives from the Stems and Branches of <i>Enkianthus chinensis</i> and Their Potential Anti-inflammatory Activities.
• Authors of publication: Wang, Hai-Qiang; Ma, Shuang-Gang; Lin, Ming-Bao; Hou, Qi; Ma, Min; Yu, Shi-Shan
• Journal of publication: Journal of natural products
• Year of publication: 2020
• Journal volume: 83
• Journal issue: 10
• Pages of publication: 2867 - 2876
• a: 7.8647 ± 0.0005 Å
• b: 9.2285 ± 0.0004 Å
• c: 36.996 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2685.1 ± 0.3 ų
• Cell temperature: 108.35 ± 0.1 K
• Ambient diffraction temperature: 108.35 ± 0.1 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: 0.0466
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1105
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No