Information card for entry 8106043

Structure parameters

• Formula: C19 H18 O8
• Calculated formula: C19 H18 O8
• SMILES: O1C(c2cc(OC)c(O)cc2)=C(OC)C(=O)c2c(O)cc(OC)c(OC)c12
• Title of publication: Crystal structure of 5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-3,7,8-trimethoxy-4H-chromen-4-one, C19H18O8
• Authors of publication: Brito, Iván; Bórquez, Jorge; Simirgiotis, Mario; Cárdenas, Alejandro
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 1
• Pages of publication: 61 - 64
• a: 12.689 ± 0.002 Å
• b: 20.321 ± 0.004 Å
• c: 7.082 ± 0.0013 Å
• α: 90°
• β: 105.368 ± 0.013°
• γ: 90°
• Cell volume: 1760.8 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 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: 0.147
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1465
• Weighted residual factors for all reflections included in the refinement: 0.1788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.951
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No