Information card for entry 1553088

Structure parameters

• Formula: C15 H27 B N2
• Calculated formula: C15 H27 B N2
• SMILES: N1(C(C)=C(N(C1=[BH]1C2CCCC1CCC2)C)C)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: 7.4085 ± 0.0006 Å
• b: 9.5348 ± 0.0006 Å
• c: 20.4481 ± 0.0016 Å
• α: 90°
• β: 97.479 ± 0.003°
• γ: 90°
• Cell volume: 1432.14 ± 0.19 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: 0.0455
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.0958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No