Information card for entry 4134420

Structure parameters

• Formula: C17 H19 B Br2 F6 N2
• Calculated formula: C17 H19 B Br2 F6 N2
• 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: 12.566 ± 0.003 Å
• b: 8.2909 ± 0.0008 Å
• c: 20.179 ± 0.004 Å
• α: 90°
• β: 104.595 ± 0.016°
• γ: 90°
• Cell volume: 2034.5 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0206
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections included in the refinement: 0.0446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No