Information card for entry 2237469

Structure parameters

• Chemical name: Methyl 3',5'-dimethoxybiphenyl-4-carboxylate
• Formula: C16 H16 O4
• Calculated formula: C16 H16 O4
• SMILES: COc1cc(OC)cc(c1)c1ccc(cc1)C(=O)OC
• Title of publication: Methyl 3',5'-dimethoxybiphenyl-4-carboxylate
• Authors of publication: Lahtinen, Manu; Nättinen, Kalle; Nummelin, Sami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 3
• Pages of publication: o460
• a: 6.099 ± 0.0009 Å
• b: 7.1622 ± 0.0016 Å
• c: 16.2408 ± 0.0018 Å
• α: 96.589 ± 0.014°
• β: 91.472 ± 0.011°
• γ: 112.493 ± 0.018°
• Cell volume: 649.3 ± 0.2 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 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: 0.0477
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes