Information card for entry 2018512

Structure parameters

• Chemical name: dibromo(dimethylamino)(phenyl)borane
• Formula: C8 H12 B Br2 N
• Calculated formula: C8 H12 B Br2 N
• SMILES: [B](Br)(Br)([NH](C)C)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: 8.9095 ± 0.0009 Å
• b: 9.2874 ± 0.0013 Å
• c: 12.9306 ± 0.0013 Å
• α: 90°
• β: 92.249 ± 0.008°
• γ: 90°
• Cell volume: 1069.1 ± 0.2 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: 0.0764
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.0945
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes