Information card for entry 2239506

Structure parameters

• Chemical name: 4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid
• Formula: C16 H14 O6
• Calculated formula: C16 H14 O6
• Title of publication: 4,4'-Dimethoxybiphenyl-3,3'-dicarboxylic acid
• Authors of publication: Lundvall, Fredrik; Wragg, David Stephen; Dietzel, Pascal D. C.; Fjellvåg, Helmer
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o615
• a: 13.138 ± 0.002 Å
• b: 15.615 ± 0.003 Å
• c: 6.7726 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1389.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1308
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes