Information card for entry 1572763

Structure parameters

• Formula: C16 H24 B2 Cl2
• Calculated formula: C16 H24 B2 Cl2
• 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: 8.5963 ± 0.0005 Å
• b: 14.7551 ± 0.0008 Å
• c: 13.323 ± 0.0007 Å
• α: 90°
• β: 94.308 ± 0.002°
• γ: 90°
• Cell volume: 1685.11 ± 0.16 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0675
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No