Information card for entry 2209229

Structure parameters

• Chemical name: 1,2-Dibromo-4,5-bis(bromomethyl)benzene
• Formula: C8 H6 Br4
• Calculated formula: C8 H6 Br4
• SMILES: BrCc1c(cc(Br)c(Br)c1)CBr
• Title of publication: 1,2-Dibromo-4,5-bis(bromomethyl)benzene
• Authors of publication: Neng-Fang She; Qin Zhao; Guo-Dong Yin; An-Xin Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2523 - o2524
• a: 7.8798 ± 0.001 Å
• b: 16.225 ± 0.002 Å
• c: 16.894 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2159.9 ± 0.5 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 3
• 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: 0.089
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes