Information card for entry 2015456

Structure parameters

• Chemical name: 2-Bromo-1,3-bis(bromomethyl)benzene
• Formula: C8 H7 Br3
• Calculated formula: C8 H7 Br3
• Title of publication: 2-Bromo-1,3-bis(bromomethyl)benzene, with <i>Z</i>' = 1.5: whole-molecule disorder of one of the two independent molecules
• Authors of publication: Kirsop, Peter; Storey, John M. D.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o376 - o378
• a: 9.1114 ± 0.0004 Å
• b: 22.6016 ± 0.001 Å
• c: 7.5004 ± 0.0003 Å
• α: 90°
• β: 111.971 ± 0.003°
• γ: 90°
• Cell volume: 1432.4 ± 0.11 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0839
• Weighted residual factors for significantly intense reflections: 0.2286
• Weighted residual factors for all reflections included in the refinement: 0.2534
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes