Information card for entry 2233072

Structure parameters

• Chemical name: 1,2-Bis(dibromomethyl)benzene
• Formula: C8 H6 Br4
• Calculated formula: C8 H6 Br4
• SMILES: BrC(Br)c1ccccc1C(Br)Br
• Title of publication: 1,2-Bis(dibromomethyl)benzene
• Authors of publication: Fang, Sin-Kai; Lin, Hong-Yi; Chen, Kew-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 1
• Pages of publication: o5
• a: 7.0222 ± 0.0008 Å
• b: 7.7313 ± 0.0009 Å
• c: 10.5927 ± 0.0012 Å
• α: 108.473 ± 0.01°
• β: 97.108 ± 0.009°
• γ: 90.394 ± 0.009°
• Cell volume: 540.61 ± 0.11 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1821
• Residual factor for significantly intense reflections: 0.0907
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes