Information card for entry 2007624

Structure parameters

• Common name: 6,6'-dimethylbiphenyl-2,2'-dicarboxylic acid
• Formula: C16 H14 O4
• Calculated formula: C16 H14 O4
• SMILES: OC(=O)c1cccc(c1c1c(C)cccc1C(=O)O)C
• Title of publication: 6,6'-Dimethylbiphenyl-2,2'-dicarboxylic Acid (6,6'-Dimethyldiphenic Acid)
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1369 - 1372
• a: 8.945 ± 0.001 Å
• b: 11.472 ± 0.001 Å
• c: 14.649 ± 0.002 Å
• α: 90°
• β: 106.36 ± 0.01°
• γ: 90°
• Cell volume: 1442.4 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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 significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.084
• Goodness-of-fit parameter for significantly intense reflections: 1.61
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No