Information card for entry 8105660

Structure parameters

• Formula: C17 H16 O6
• Calculated formula: C17 H16 O6
• Title of publication: Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
• Authors of publication: Cisterna, Jonathan; Bórquez, Jorge; Muñoz, Rubén; Simirgiotis, Mario; Cárdenas, Alejandro; Brito, Iván
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 405 - 407
• a: 5.2601 ± 0.0003 Å
• b: 12.7161 ± 0.0006 Å
• c: 22.0116 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1472.31 ± 0.13 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.065
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No