Information card for entry 2221937

Structure parameters

• Chemical name: Propylamine‒borane
• Formula: C3 H12 B N
• Calculated formula: C3 H12 B N
• SMILES: [NH2](CCC)[BH3]
• Title of publication: Propylamine‒borane
• Authors of publication: Gainsford, Graeme J.; Bowden, Mark E.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 6
• Pages of publication: o1395
• a: 9.173 ± 0.004 Å
• b: 8.638 ± 0.003 Å
• c: 7.36 ± 0.003 Å
• α: 90°
• β: 97.892 ± 0.008°
• γ: 90°
• Cell volume: 577.7 ± 0.4 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.1047
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1375
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes