Information card for entry 2205468

Structure parameters

• Chemical name: 4'-Methylbiphenyl-2-carboxylic acid
• Formula: C14 H12 O2
• Calculated formula: C14 H12 O2
• SMILES: c1(c(cccc1)C(=O)O)c1ccc(cc1)C
• Title of publication: 4'-Methylbiphenyl-2-carboxylic acid
• Authors of publication: Narasegowda, Rajenahally S.; Yathirajan, Hemmige S.; Bolte, Michael
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 4
• Pages of publication: o939 - o940
• a: 7.5953 ± 0.0015 Å
• b: 14.582 ± 0.003 Å
• c: 10.616 ± 0.002 Å
• α: 90°
• β: 90.61 ± 0.016°
• γ: 90°
• Cell volume: 1175.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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 all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0699
• Weighted residual factors for all reflections included in the refinement: 0.0771
• Goodness-of-fit parameter for all reflections included in the refinement: 0.878
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No