Information card for entry 7022759

Structure parameters

• Common name: 6
• Formula: C12 H22 B N
• Calculated formula: C12 H22 B N
• SMILES: [NH2](c1c(cccc1C(C)C)C(C)C)[BH3]
• Title of publication: Metal-free dehydrogenation of amine-boranes by an N-heterocyclic carbene.
• Authors of publication: Sabourin, Kyle J.; Malcolm, Adam C.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 13
• Pages of publication: 4625 - 4632
• a: 15.4951 ± 0.0012 Å
• b: 15.4951 ± 0.0012 Å
• c: 27.816 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5783.8 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0506
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1038
• Weighted residual factors for all reflections included in the refinement: 0.1114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No