Information card for entry 8106826

Structure parameters

• Formula: C15 H14 O6
• Calculated formula: C15 H14 O6
• Title of publication: Crystal structure of (2,5-dihydroxyphenyl)-(4-hydroxy-3,5-dimethoxyphenyl)methanone, C15H14O6
• Authors of publication: Benites, Julio; Valderrama, Jaime A.; Ríos, David; Cárdenas, Alejandro; Brito, Iván
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 1
• Pages of publication: 205 - 206
• a: 8.2996 ± 0.0005 Å
• b: 8.3739 ± 0.0004 Å
• c: 10.7565 ± 0.0005 Å
• α: 94.942 ± 0.003°
• β: 112.199 ± 0.004°
• γ: 102.752 ± 0.004°
• Cell volume: 663.09 ± 0.07 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299.52 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0449
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No