Information card for entry 1546758

Structure parameters

• Formula: C29 H44 B N
• Calculated formula: C29 H44 B N
• Title of publication: Nucleophilic Addition and Substitution at Coordinatively Saturated Boron by Facile 1,2-Hydrogen Shuttling onto a Carbene Donor
• Authors of publication: Braunschweig, Holger; Auerhammer, Dominic; Arrowsmith, Merle; Dewhurst, Rian; JIMENEZ-HALLA, J. OSCAR C.; Kupfer, Thomas
• Journal of publication: Chem. Sci.
• Year of publication: 2017
• a: 13.724 ± 0.003 Å
• b: 16.513 ± 0.003 Å
• c: 23.647 ± 0.005 Å
• α: 90 ± 0.03°
• β: 105.61 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 5161 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1884
• 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