Information card for entry 2210152

Structure parameters

• Chemical name: 4-Chloro-2',3'-dimethoxybiphenyl
• Formula: C14 H13 Cl O2
• Calculated formula: C14 H13 Cl O2
• SMILES: Clc1ccc(c2c(c(ccc2)OC)OC)cc1
• Title of publication: 4-Chloro-2',3'-dimethoxybiphenyl
• Authors of publication: Vyas, Sandhya M.; Parkin, Sean; Robertson, Larry W.; Lehmler, Hans-Joachim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: o3639 - o3640
• a: 10.6579 ± 0.0002 Å
• b: 13.8592 ± 0.0003 Å
• c: 8.4098 ± 0.0003 Å
• α: 90°
• β: 91.2829 ± 0.0011°
• γ: 90°
• Cell volume: 1241.9 ± 0.06 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes