Information card for entry 4082147

Structure parameters

• Formula: C16 H25 B N2 Si
• Calculated formula: C16 H25 B N2 Si
• SMILES: [Si](/C(=C\c1ccccc1)[BH2]c1n(cc[n+]1C)C)(C)(C)C
• Title of publication: Borenium-Catalyzed Hydroborations of Silyl-Substituted Alkenes and Alkynes with a Readily Available N-Heterocyclic Carbene‒Borane
• Authors of publication: Boussonnière, Anne; Pan, Xiangcheng; Geib, Steven J.; Curran, Dennis P.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7445
• a: 19.3 ± 0.003 Å
• b: 7.7161 ± 0.001 Å
• c: 12.3941 ± 0.0017 Å
• α: 90°
• β: 113.586 ± 0.006°
• γ: 90°
• Cell volume: 1691.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1302
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1637
• Goodness-of-fit parameter for all reflections included in the refinement: 1.709
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No