Information card for entry 2205816

Structure parameters

• Chemical name: 3-chloro-4,4'-dimethoxybiphenyl
• Formula: C14 H13 Cl O2
• Calculated formula: C14 H13 Cl O2
• SMILES: Clc1c(OC)ccc(c1)c1ccc(OC)cc1
• Title of publication: An asymmetric biphenyl compound: 3-chloro-4,4'-dimethoxybiphenyl
• Authors of publication: Ting-Feng, Tan; Jian-Xin, Zhang; Ji-Ben, Meng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1210 - o1211
• a: 9.807 ± 0.007 Å
• b: 9.193 ± 0.006 Å
• c: 26.607 ± 0.017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2399 ± 3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.114
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.109
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No