Information card for entry 4134423

Structure parameters

• Formula: C46 H50 B2 Br2 F12 N4
• Calculated formula: C46 H50 B2 Br2 F12 N4
• Title of publication: Trapping of a Borirane Intermediate in the Reductive Coupling of an Arylborane to a Diborene.
• Authors of publication: Hermann, Alexander; Arrowsmith, Merle; Trujillo-Gonzalez, Daniel E; Jiménez-Halla, J Oscar C; Vargas, Alfredo; Braunschweig, Holger
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• Journal volume: 142
• Journal issue: 12
• Pages of publication: 5562 - 5567
• a: 10.477 ± 0.007 Å
• b: 11.414 ± 0.008 Å
• c: 21.469 ± 0.018 Å
• α: 75.85 ± 0.015°
• β: 85.729 ± 0.008°
• γ: 72.776 ± 0.019°
• Cell volume: 2378 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1041
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No