Information card for entry 2241291

Structure parameters

• Chemical name: 4,4'-Dibromo-2',5'-dimethoxy-[1,1'-biphenyl]-2,5-dione
• Formula: C14 H10 Br2 O4
• Calculated formula: C14 H10 Br2 O4
• SMILES: BrC1=CC(=O)C(=CC1=O)c1c(OC)cc(Br)c(OC)c1
• Title of publication: Crystal structure of 4,4'-dibromo-2',5'-dimethoxy-[1,1'-biphenyl]-2,5-dione (BrHBQBr)
• Authors of publication: Meany, Joseph E.; Kelley, Steven P.; Metzger, Robert M.; Rogers, Robin D.; Woski, Stephen A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 12
• Pages of publication: 1454 - 1456
• a: 7.0909 ± 0.0006 Å
• b: 9.212 ± 0.0008 Å
• c: 10.7056 ± 0.001 Å
• α: 90.989 ± 0.003°
• β: 97.098 ± 0.003°
• γ: 101.909 ± 0.003°
• Cell volume: 678.35 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0533
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1481
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes