Information card for entry 2009124

Structure parameters

• Common name: 2',5'-dimethylbiphenyl-2-carboxylic acid
• Formula: C15 H14 O2
• Calculated formula: C15 H14 O2
• SMILES: Cc1ccc(c(c1)c1ccccc1C(=O)O)C
• Title of publication: 2',5'-Dimethylbiphenyl-2-carboxylic acid
• Authors of publication: Gerkin, Roger E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 11
• Pages of publication: 1859 - 1861
• a: 9.374 ± 0.002 Å
• b: 10.391 ± 0.001 Å
• c: 13.41 ± 0.001 Å
• α: 90°
• β: 105.54 ± 0.01°
• γ: 90°
• Cell volume: 1258.5 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.52
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No