Information card for entry 4129468

Structure parameters

• Formula: C25 H31 B Br N O5 S
• Calculated formula: C25 H31 B Br N O5 S
• Title of publication: Aminoboration: Addition of B-N σ Bonds across C-C π Bonds.
• Authors of publication: Chong, Eugene; Blum, Suzanne A.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 32
• Pages of publication: 10144 - 10147
• a: 18.1308 ± 0.0009 Å
• b: 19.2458 ± 0.001 Å
• c: 18.6533 ± 0.001 Å
• α: 90°
• β: 115.227 ± 0.0006°
• γ: 90°
• Cell volume: 5888.1 ± 0.5 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No