Information card for entry 4122314

Structure parameters

• Formula: C15 H25 B N2
• Calculated formula: C15 H25 B N2
• SMILES: [n]1([BH]2C3CCCC2CCC3)ccc(N(C)C)cc1
• Title of publication: Lewis Acid triggered reactivity of a lewis base stabilized scandium-terminal imido complex: C-h bond activation, cycloaddition, and dehydrofluorination.
• Authors of publication: Chu, Jiaxiang; Han, Xianghao; Kefalidis, Christos E.; Zhou, Jiliang; Maron, Laurent; Leng, Xuebing; Chen, Yaofeng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 31
• Pages of publication: 10894 - 10897
• a: 27.772 ± 0.005 Å
• b: 31.111 ± 0.006 Å
• c: 6.5431 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5653.3 ± 1.8 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1211
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No