Information card for entry 4133156

Structure parameters

• Formula: C19 H23 N Si
• Calculated formula: C19 H23 N Si
• SMILES: [Si@@]1(c2cc(ccc2N2C[C@H]1CCC2)C)(c1ccccc1)C.[Si@]1(c2cc(ccc2N2C[C@@H]1CCC2)C)(c1ccccc1)C
• Title of publication: Catalytic Access to Bridged Sila- N-heterocycles from Piperidines via Cascade sp³ and sp² C-Si Bond Formation.
• Authors of publication: Zhang, Jianbo; Park, Sehoon; Chang, Sukbok
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 41
• Pages of publication: 13209 - 13213
• a: 8.0992 ± 0.0003 Å
• b: 9.9826 ± 0.0003 Å
• c: 10.9592 ± 0.0004 Å
• α: 94.4146 ± 0.0012°
• β: 93.3668 ± 0.0012°
• γ: 110.814 ± 0.0011°
• Cell volume: 822.25 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1069
• Weighted residual factors for all reflections included in the refinement: 0.1144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No