Information card for entry 2215575

Structure parameters

• Chemical name: 6,6'-Dimethoxy-2,3,2',5'-tetranitro-1,1'-biphenyl
• Formula: C14 H10 N4 O10
• Calculated formula: C14 H10 N4 O10
• SMILES: O(c1ccc(N(=O)=O)c(N(=O)=O)c1c1c(N(=O)=O)ccc(N(=O)=O)c1OC)C
• Title of publication: 6,6'-Dimethoxy-2,3,2',5'-tetranitro-1,1'-biphenyl
• Authors of publication: Xue-Yang Xiao; Shao-Bin Miao; Hong-Hong Lan; Yuan-Yuan Jiang; Bao-Ming Ji
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o4012 - o4012
• a: 8.1821 ± 0.0011 Å
• b: 10.2161 ± 0.0013 Å
• c: 10.6133 ± 0.0014 Å
• α: 95.118 ± 0.002°
• β: 90.579 ± 0.002°
• γ: 110.977 ± 0.002°
• Cell volume: 824.21 ± 0.19 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.068
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1177
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes