Information card for entry 1531043

Structure parameters

• Formula: C19 H16 O7
• Calculated formula: C19 H16 O7
• SMILES: o1c2c(Oc3cc(O)c(cc3)CCC(=O)OC)c(O)ccc2ccc1=O
• Title of publication: α-Glucosidase Inhibition and Antihyperglycemic Activity of Phenolics from the Flowers of Edgeworthia gardneri.
• Authors of publication: Ma, Yan-Yan; Zhao, Deng-Gao; Zhou, Ai-Yu; Zhang, Yu; Du, Zhiyun; Zhang, Kun
• Journal of publication: Journal of agricultural and food chemistry
• Year of publication: 2015
• Journal volume: 63
• Journal issue: 37
• Pages of publication: 8162 - 8169
• a: 14.7352 ± 0.0017 Å
• b: 8.7127 ± 0.0009 Å
• c: 14.2158 ± 0.0012 Å
• α: 90°
• β: 114.431 ± 0.012°
• γ: 90°
• Cell volume: 1661.7 ± 0.3 ų
• Cell temperature: 293.18 ± 0.1 K
• Ambient diffraction temperature: 293.18 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1415
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.2056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No