Information card for entry 7034866

Structure parameters

• Formula: C33 H43 F3 N2 O3 S Si
• Calculated formula: C33 H43 F3 N2 O3 S Si
• SMILES: [Si](/C(=C(/c1n(c(c([n+]1C(C)(C)C)C)C)C(C)(C)C)c1ccccc1)C#Cc1ccccc1)(C)(C)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.0006 ± 0.0002 Å
• b: 13.4769 ± 0.0002 Å
• c: 14.1223 ± 0.0002 Å
• α: 90°
• β: 99.137 ± 0.002°
• γ: 90°
• Cell volume: 1691.3 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0298
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No