Information card for entry 4127481

Structure parameters

• Formula: C22 H24 B10 Cl3 N O
• Calculated formula: C22 H24 B10 Cl3 N O
• Title of publication: Catalytic Regioselective Cage B(8)-H Arylation of o-Carboranes via "Cage-Walking" Strategy.
• Authors of publication: Lyu, Hairong; Zhang, Jie; Yang, Jingting; Quan, Yangjian; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 10
• Pages of publication: 4219 - 4224
• a: 18.0714 ± 0.0015 Å
• b: 18.635 ± 0.0015 Å
• c: 21.9499 ± 0.0019 Å
• α: 111.875 ± 0.002°
• β: 92.237 ± 0.003°
• γ: 118.324 ± 0.002°
• Cell volume: 5823.9 ± 0.9 ų
• Cell temperature: 299 ± 2 K
• Ambient diffraction temperature: 299 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1712
• Residual factor for significantly intense reflections: 0.0861
• Weighted residual factors for significantly intense reflections: 0.2824
• Weighted residual factors for all reflections included in the refinement: 0.3306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No