Information card for entry 2237818

Structure parameters

• Chemical name: 3,4-Dimethoxy-4'-methylbiphenyl
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: COc1cc(ccc1OC)c1ccc(cc1)C
• Title of publication: 3,4-Dimethoxy-4'-methylbiphenyl
• Authors of publication: Lahtinen, Manu; Nummelin, Sami
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o681
• a: 17.743 ± 0.0009 Å
• b: 8.7581 ± 0.0003 Å
• c: 8.1135 ± 0.0003 Å
• α: 90°
• β: 101.795 ± 0.005°
• γ: 90°
• Cell volume: 1234.18 ± 0.09 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 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: 0.0629
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.1302
• Weighted residual factors for all reflections included in the refinement: 0.143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes