Information card for entry 4513893

Structure parameters

• Formula: C34 H18 B F20 N3 O2 Si
• Calculated formula: C34 H18 B F20 N3 O2 Si
• SMILES: [Si]1(OC(=O)[N+]2=C3N1CCCN3CCC2)(C)C.[B-](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Implications of CO2Activation by Frustrated Lewis Pairs in the Catalytic Hydroboration of CO2: A View Using N/Si+Frustrated Lewis Pairs
• Authors of publication: von Wolff, N.; Lefèvre, G.; Berthet, J.-C.; Thuéry, P.; Cantat, T.
• Journal of publication: ACS Catalysis
• Year of publication: 2016
• Pages of publication: 4526
• a: 7.9383 ± 0.0007 Å
• b: 13.9155 ± 0.0012 Å
• c: 16.4838 ± 0.0009 Å
• α: 75.2 ± 0.005°
• β: 84.476 ± 0.005°
• γ: 76.031 ± 0.004°
• Cell volume: 1707.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.053
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No