Information card for entry 1553084

Structure parameters

• Formula: C23 H18.711 B F10 N2
• Calculated formula: C23 H18.71 B F10 N2
• SMILES: B1(=C2N(C=CN2C(C)(C1)C)C(C)(C)C)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(c(c(c1F)F)F)F
• Title of publication: A family of N-heterocyclic carbene-stabilized borenium ions for metal-free imine hydrogenation catalysis.
• Authors of publication: Farrell, Jeffrey M.; Posaratnanathan, Roy T.; Stephan, Douglas W.
• Journal of publication: Chemical science
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 3
• Pages of publication: 2010 - 2015
• a: 11.5423 ± 0.0018 Å
• b: 12.863 ± 0.002 Å
• c: 15.801 ± 0.002 Å
• α: 90°
• β: 93.409 ± 0.006°
• γ: 90°
• Cell volume: 2341.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 149.7 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1322
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.1836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0563
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No