Information card for entry 1553091

Structure parameters

• Formula: C11 H24 B P
• Calculated formula: C11 H24 B P
• SMILES: [P](C)(C)(C)[BH]1C2CCCC1CCC2
• 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: 11.0408 ± 0.0011 Å
• b: 6.6868 ± 0.0006 Å
• c: 16.9825 ± 0.0015 Å
• α: 90°
• β: 97.038 ± 0.005°
• γ: 90°
• Cell volume: 1244.3 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0515
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No