Information card for entry 4134424

Structure parameters

• Formula: C23 H23 B F6 N2 O2
• Calculated formula: C23 H23 B F6 N2 O2
• 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: 8.465 ± 0.0019 Å
• b: 11.3157 ± 0.0018 Å
• c: 23.879 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2287.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0302
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No