Information card for entry 4106643

Structure parameters

• Formula: C7 H19 B K N Si
• Calculated formula: C7 H19 B K N Si
• SMILES: [K+].[Si](N1[BH2]CCCC1)(C)(C)C
• Title of publication: 1,2-BN Cyclohexane: Synthesis, Structure, Dynamics, and Reactivity
• Authors of publication: Wei Luo; Lev N. Zakharov; Shih-Yuan Liu
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 13006 - 13009
• a: 6.1943 ± 0.0007 Å
• b: 11.4203 ± 0.0013 Å
• c: 15.7536 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1114.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0272
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No