Information card for entry 2233272

Structure parameters

• Chemical name: 4-Methoxy-3-nitrobiphenyl
• Formula: C13 H11 N O3
• Calculated formula: C13 H11 N O3
• SMILES: O(c1c(cc(cc1)c1ccccc1)N(=O)=O)C
• Title of publication: 4-Methoxy-3-nitrobiphenyl
• Authors of publication: Chao, Xuqiang; Zhang, Xiuqin; Wang, Kai; Ji, Jun; Chen, Qiang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o114
• a: 7.2464 ± 0.0014 Å
• b: 14.416 ± 0.003 Å
• c: 21.27 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2222 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0561
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes