Information card for entry 2018509

Structure parameters

• Chemical name: dibromoborylbenzene
• Formula: C6 H5 B Br2
• Calculated formula: C6 H5 B Br2
• SMILES: B(Br)(Br)c1ccccc1
• Title of publication: Structural characteristics of dibromoborylated benzene derivatives
• Authors of publication: Popp, Sebastian; Ruth, Kai; Lerner, Hans-Wolfram; Bolte, Michael
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 6
• Pages of publication: o226 - o230
• a: 11.0841 ± 0.0016 Å
• b: 7.8287 ± 0.0012 Å
• c: 17.72 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1537.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0771
• Residual factor for significantly intense reflections: 0.0504
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes