Information card for entry 4114004

Structure parameters

• Formula: C4 H16 B2 N2
• Calculated formula: C4 H16 B2 N2
• SMILES: C[N]1(C)[BH2][N]([BH2]1)(C)C
• Title of publication: Transition Metal-Catalyzed Formation of Boron-Nitrogen Bonds: Catalytic Dehydrocoupling of Amine-Borane Adducts to Form Aminoboranes and Borazines
• Authors of publication: Cory A. Jaska; Karen Temple; Alan J. Lough; Ian Manners
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 9424 - 9434
• a: 5.833 ± 0.0007 Å
• b: 6.029 ± 0.001 Å
• c: 6.24 ± 0.001 Å
• α: 80.372 ± 0.008°
• β: 81.533 ± 0.01°
• γ: 65.942 ± 0.008°
• Cell volume: 196.8 ± 0.05 ų
• Cell temperature: 103 ± 1 K
• Ambient diffraction temperature: 103 ± 1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1209
• Residual factor for significantly intense reflections: 0.0963
• Weighted residual factors for significantly intense reflections: 0.2866
• Weighted residual factors for all reflections included in the refinement: 0.3002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No