Information card for entry 1572772

Structure parameters

• Formula: C23 H35 B Br N
• Calculated formula: C23 H35 B Br N
• Title of publication: Arene extrusion as an approach to reductive elimination at boron: Implication of carbene-ligated haloborylene as a transient reactive intermediate
• Authors of publication: Zhang, Chonghe; Gilliard, Robert J.; Cummins, Christopher
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 12.1571 ± 0.0005 Å
• b: 13.5618 ± 0.0007 Å
• c: 25.839 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4260.1 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No