Information card for entry 1553086

Structure parameters

• Formula: C18 H25 B N2
• Calculated formula: C18 H25 B N2
• SMILES: N1(c2ccccc2)C(N(C=C1)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: 8.4021 ± 0.0011 Å
• b: 10.0498 ± 0.0013 Å
• c: 9.2882 ± 0.001 Å
• α: 90°
• β: 93.645 ± 0.006°
• γ: 90°
• Cell volume: 782.7 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No