Information card for entry 1553089

Structure parameters

• Formula: C13 H21 B Cl2 N2
• Calculated formula: C13 H21 B Cl2 N2
• SMILES: ClC1N(C(N(C)C=1Cl)=[BH]1C2CCCC1CCC2)C
• 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: 8.8877 ± 0.0003 Å
• b: 14.4614 ± 0.0005 Å
• c: 10.8854 ± 0.0004 Å
• α: 90°
• β: 91.815 ± 0.002°
• γ: 90°
• Cell volume: 1398.38 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0394
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No