Information card for entry 1550946

Structure parameters

• Chemical name: 3,5-Dichloro-3',4'-dimethoxybiphenyl
• Formula: C14 H12 Cl2 O2
• Calculated formula: C14 H12 Cl2 O2
• SMILES: Clc1cc(cc(Cl)c1)c1cc(c(cc1)OC)OC
• Title of publication: 3,5-Dichloro-3',4'-dimethoxybiphenyl
• Authors of publication: Dhakal, Ram; Parkin, Sean; Lehmler, Hans-Joachim
• Journal of publication: IUCrData
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 4
• Pages of publication: x190518
• a: 10.8596 ± 0.001 Å
• b: 15.1262 ± 0.001 Å
• c: 7.904 ± 0.0003 Å
• α: 90°
• β: 103.749 ± 0.01°
• γ: 90°
• Cell volume: 1261.14 ± 0.16 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: 0.0376
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0694
• Weighted residual factors for all reflections included in the refinement: 0.0721
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes