Information card for entry 1569876

Structure parameters

• Formula: C43 H30 F18 N4 O2 Si
• Calculated formula: C43 H30 F18 N4 O2 Si
• SMILES: [Si]12(Oc3c(N2c2c(F)c(F)c(F)c(F)c2F)c(F)c(F)c(F)c3F)(Oc2c(N1c1c(F)c(F)c(F)c(F)c1F)c(F)c(F)c(F)c2F)c1cn(c2c1cccc2)C.[NH+]1(C(C)(CCCC1(C)C)C)C
• Title of publication: Reversible C-H bond silylation with a neutral silicon Lewis acid.
• Authors of publication: Thorwart, Thaddäus; Greb, Lutz
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 40
• Pages of publication: 11237 - 11242
• a: 19.1013 ± 0.0006 Å
• b: 11.5155 ± 0.0003 Å
• c: 19.3079 ± 0.0006 Å
• α: 90°
• β: 105.893 ± 0.001°
• γ: 90°
• Cell volume: 4084.6 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No