Information card for entry 2237937

Structure parameters

• Chemical name: 5,5'-Dichloro-2,2'-dimethoxybiphenyl
• Formula: C14 H12 Cl2 O2
• Calculated formula: C14 H12 Cl2 O2
• SMILES: COc1ccc(cc1c1cc(Cl)ccc1OC)Cl
• Title of publication: 5,5'-Dichloro-2,2'-dimethoxybiphenyl
• Authors of publication: Lehmler, Hans-Joachim; Wu, Huimin; Parkin, Sean
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 5
• Pages of publication: o650
• a: 10.9629 ± 0.0002 Å
• b: 7.2177 ± 0.0001 Å
• c: 16.7812 ± 0.0003 Å
• α: 90°
• β: 104.711 ± 0.0007°
• γ: 90°
• Cell volume: 1284.32 ± 0.04 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1113
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes