Information card for entry 7108903

Structure parameters

• Formula: C16 H21 B N2
• Calculated formula: C16 H21 B N2
• SMILES: B(N(c1ccccc1)c1ccccc1)NC(C)(C)C
• Title of publication: Bespoke synthesis of unsymmetrical diaminoboranes by alkaline earth catalysis
• Authors of publication: Peter Bellham; Michael S. Hill; Gabriele Kociok-Kohn; David J. Liptrot
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 19
• Pages of publication: 1960 - 1962
• a: 5.925 ± 0.0004 Å
• b: 10.9299 ± 0.0007 Å
• c: 22.928 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1484.81 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1261
• 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