Information card for entry 4072675

Structure parameters

• Formula: C14 H24 F3 N O3 S Si
• Calculated formula: C14 H24 F3 N O3 S Si
• SMILES: c1cc(cc[n+]1C)C[Si](C)(C)C(C)(C)C.C(F)(F)(F)S(=O)(=O)[O-]
• Title of publication: Carbon−Silicon Hyperconjugation and Strain-Enhanced Hyperconjugation: Structures ofN-Methyl 2- and 4-tert-Butyldimethylsilylmethyl Pyridinium Cations
• Authors of publication: Hassall, Kathryn; Lobachevsky, Sofia; Schiesser, Carl H.; White, Jonathan M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 6
• Pages of publication: 1361
• a: 10.734 ± 0.0005 Å
• b: 11.2427 ± 0.0005 Å
• c: 31.3159 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3779.2 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No