Information card for entry 4108153

Structure parameters

• Formula: C11 H14 B N3
• Calculated formula: C11 H14 B N3
• Title of publication: Complexes of Borane and N-Heterocyclic Carbenes: A New Class of Radical Hydrogen Atom Donor
• Authors of publication: Shau-Hua Ueng; Malika Makhlouf Brahmi; Étienne Derat; Louis Fensterbank; Emmanuel Lacôte; Max Malacria; Dennis P. Curran
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 10082 - 10083
• a: 10.1333 ± 0.0016 Å
• b: 6.8285 ± 0.0011 Å
• c: 15.7143 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1087.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0922
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No