Information card for entry 2237614

Structure parameters

• Chemical name: 3,5-Dimethoxy-4'-methylbiphenyl
• Formula: C15 H16 O2
• Calculated formula: C15 H16 O2
• SMILES: COc1cc(OC)cc(c1)c1ccc(cc1)C
• Title of publication: 3,5-Dimethoxy-4'-methylbiphenyl
• 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: 4
• Pages of publication: o510 - o511
• a: 7.16505 ± 0.00018 Å
• b: 15.3511 ± 0.0004 Å
• c: 33.3834 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3671.89 ± 0.16 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 0.1 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes