Information card for entry 4133158

Structure parameters

• Formula: C19 H22 F N Si
• Calculated formula: C19 H22 F N Si
• SMILES: [Si@]1(c2c(c(ccc2N2C[C@@H]1CCC2)C)F)(c1ccccc1)C.[Si@@]1(c2c(c(ccc2N2C[C@H]1CCC2)C)F)(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: 8.3674 ± 0.0004 Å
• b: 9.8239 ± 0.0005 Å
• c: 10.5168 ± 0.0005 Å
• α: 84.3339 ± 0.0017°
• β: 89.5971 ± 0.0018°
• γ: 71.2191 ± 0.0017°
• Cell volume: 814.18 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0409
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No