Information card for entry 4134425

Structure parameters

• Formula: C31 H37 B Cl2 F6 N
• Calculated formula: C31 H37 B Cl2 F6 N
• 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: 15.8864 ± 0.0006 Å
• b: 9.1579 ± 0.0003 Å
• c: 42.8822 ± 0.0016 Å
• α: 90°
• β: 99.783 ± 0.001°
• γ: 90°
• Cell volume: 6148 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0671
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No