Information card for entry 1570342

Structure parameters

• Chemical name: boron tribromide - N,N-dimethylaniline
• Formula: C8 H11 B Br3 N
• Calculated formula: C8 H11 B Br3 N
• Title of publication: Rapid, iterative syntheses of unsymmetrical di- and triarylboranes from crystalline aryldifluoroboranes.
• Authors of publication: Turnbull, Douglas; Légaré, Marc-André
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 48
• Pages of publication: 14256 - 14261
• a: 9.2702 ± 0.0004 Å
• b: 10.5154 ± 0.0004 Å
• c: 12.0275 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1172.44 ± 0.08 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.032
• Residual factor for significantly intense reflections: 0.0302
• Weighted residual factors for significantly intense reflections: 0.0713
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0378
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No