Information card for entry 2219327

Structure parameters

• Chemical name: 2,2'-Dimethoxybiphenyl
• Formula: C14 H14 O2
• Calculated formula: C14 H14 O2
• SMILES: COc1ccccc1c1ccccc1OC
• Title of publication: 2,2'-Dimethoxybiphenyl
• Authors of publication: Nakaema, Kosuke; Okamoto, Akiko; Maruyama, Satoshi; Noguchi, Keiichi; Yonezawa, Noriyuki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: o1731
• a: 7.39307 ± 0.00013 Å
• b: 7.39307 ± 0.00013 Å
• c: 20.1623 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1102.02 ± 0.04 ų
• Cell temperature: 193 K
• Ambient diffraction temperature: 193 K
• Number of distinct elements: 3
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0246
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes