Information card for entry 7034864

Structure parameters

• Formula: C18 H33 F3 N2 O5 S Si
• Calculated formula: C18 H33 F3 N2 O5 S Si
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Si](OC(=O)c1n(c(c([n+]1C(C)(C)C)C)C)C(C)(C)C)(C)(C)C
• Title of publication: Frustrated N-heterocyclic carbene-silylium ion Lewis pairs.
• Authors of publication: Silva Valverde, Miguel F.; Theuergarten, Eileen; Bannenberg, Thomas; Freytag, Matthias; Jones, Peter G.; Tamm, Matthias
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9400 - 9408
• a: 10.6572 ± 0.0003 Å
• b: 10.9091 ± 0.0003 Å
• c: 20.6522 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2401.03 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0243
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No