Information card for entry 2215397

Structure parameters

• Chemical name: 1,2-Dibromo-4,5-dimethylbenzene
• Formula: C8 H8 Br2
• Calculated formula: C8 H8 Br2
• SMILES: Brc1c(Br)cc(c(c1)C)C
• Title of publication: 1,2-Dibromo-4,5-dimethylbenzene
• Authors of publication: Li Yinhuai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: o3971 - o3971
• a: 9.383 ± 0.004 Å
• b: 7.918 ± 0.003 Å
• c: 12.612 ± 0.005 Å
• α: 90°
• β: 109.041 ± 0.006°
• γ: 90°
• Cell volume: 885.7 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0974
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes