Information card for entry 4129426

Structure parameters

• Common name: ALM-VI-33
• Formula: C18 H18 F9 N3 O4 S Si
• Calculated formula: C18 H18 F9 N3 O4 S Si
• SMILES: c12c(c(c(c(c1O[Si]1(O2)(Oc2c(c(c(c(c2O1)F)F)F)F)F)F)F)F)F.CN(C)[S+](N(C)C)N(C)C
• Title of publication: Lewis Acidity of Bis(perfluorocatecholato)silane: Aldehyde Hydrosilylation Catalyzed by a Neutral Silicon Compound.
• Authors of publication: Liberman-Martin, Allegra L; Bergman, Robert G.; Tilley, T. Don
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 16
• Pages of publication: 5328 - 5331
• a: 10.302 ± 0.002 Å
• b: 11.005 ± 0.002 Å
• c: 19.949 ± 0.004 Å
• α: 94.143 ± 0.009°
• β: 92.813 ± 0.011°
• γ: 95.037 ± 0.009°
• Cell volume: 2243.6 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: mokα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No