Information card for entry 2018510

Structure parameters

• Chemical name: 1-dibromoboryl-4-(trimethylsilyl)benzene
• Formula: C9 H13 B Br2 Si
• Calculated formula: C9 H13 B Br2 Si
• SMILES: [Si](c1ccc(B(Br)Br)cc1)(C)(C)C
• 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: 6.7452 ± 0.0005 Å
• b: 15.239 ± 0.0012 Å
• c: 12.4123 ± 0.001 Å
• α: 90°
• β: 93.841 ± 0.006°
• γ: 90°
• Cell volume: 1273 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0447
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0841
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes