Information card for entry 1570344

Structure parameters

• Chemical name: boron tribromide - N,N-dimethyl-4-trimethylsilylaniline
• Formula: C11 H19 B Br3 N Si
• Calculated formula: C11 H19 B Br3 N Si
• SMILES: Br[B](Br)(Br)[N](c1ccc([Si](C)(C)C)cc1)(C)C
• 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: 14.178 ± 0.0003 Å
• b: 12.384 ± 0.0003 Å
• c: 19.5169 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3426.78 ± 0.13 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 6
• 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: 0.0446
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0599
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No