Information card for entry 2221936

Structure parameters

• Chemical name: 2,5-Bis(bromomethyl)biphenyl
• Formula: C14 H12 Br2
• Calculated formula: C14 H12 Br2
• SMILES: BrCc1c(cc(cc1)CBr)c1ccccc1
• Title of publication: 2,5-Bis(bromomethyl)biphenyl
• Authors of publication: Kuś, Piotr; Zemanek, Aleksander; Jones, Peter G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1327
• a: 33.084 ± 0.004 Å
• b: 4.3354 ± 0.0006 Å
• c: 18.017 ± 0.002 Å
• α: 90°
• β: 103.702 ± 0.004°
• γ: 90°
• Cell volume: 2510.7 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0453
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0776
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes