Information card for entry 4130811

Structure parameters

• Formula: C10 H25 B10 N O2
• Calculated formula: C10 H24 B10 N O2
• Title of publication: Transition Metal Catalyzed Direct Amination of the Cage B(4)-H Bond in o-Carboranes: Synthesis of Tertiary, Secondary, and Primary o-Carboranyl Amines.
• Authors of publication: Lyu, Hairong; Quan, Yangjian; Xie, Zuowei
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2016
• Journal volume: 138
• Journal issue: 39
• Pages of publication: 12727 - 12730
• a: 8.0349 ± 0.0017 Å
• b: 18.023 ± 0.004 Å
• c: 12.072 ± 0.003 Å
• α: 90°
• β: 96.799 ± 0.008°
• γ: 90°
• Cell volume: 1735.9 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.2646
• Weighted residual factors for all reflections included in the refinement: 0.3276
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No