Information card for entry 2234707

Structure parameters

• Chemical name: 3,4-Dimethoxy-4'-nitro-1,1'-biphenyl
• Formula: C14 H13 N O4
• Calculated formula: C14 H13 N O4
• SMILES: N(=O)(=O)c1ccc(cc1)c1cc(OC)c(OC)cc1
• Title of publication: 3,4-Dimethoxy-4'-nitro-1,1'-biphenyl
• Authors of publication: Li, Xin-Min; Hou, Yan-Jun; Chu, Wen-Yi; Sun, Zhi-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: o1292
• a: 16.2714 ± 0.0014 Å
• b: 7.6529 ± 0.0007 Å
• c: 20.2448 ± 0.0018 Å
• α: 90°
• β: 91.691 ± 0.001°
• γ: 90°
• Cell volume: 2519.9 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0572
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1035
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes