Information card for entry 7120224

Structure parameters

• Formula: C17 H27 N3 Si
• Calculated formula: C17 H27 N3 Si
• SMILES: [SiH]1([N](=C(N1C(C)(C)C)c1ccccc1)C(C)(C)C)(C)C#N
• Title of publication: Metal free mild and selective aldehyde cyanosilylation by a neutral penta-coordinate silicon compound
• Authors of publication: Swamy, V.S.V.S.N.; Bisai, Milan Kumar; Das, Tamal; Sen, Sakya Singha
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 9.527 ± 0.003 Å
• b: 12.162 ± 0.004 Å
• c: 15.346 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1778.1 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.1731
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No