Information card for entry 7104967

Structure parameters

• Formula: C7 H10 B N3
• Calculated formula: C7 H10 B N3
• Title of publication: 1,2,3-Triazole-boranes: stable and efficient reagents for ketone and aldehyde reductive amination in organic solvents or in water.
• Authors of publication: Liao, Wenyan; Chen, Yunfeng; Liu, Yuxiu; Duan, Haifeng; Petersen, Jeffrey L; Shi, Xiaodong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal issue: 42
• Pages of publication: 6436 - 6438
• a: 8.1841 ± 0.0007 Å
• b: 8.4683 ± 0.0007 Å
• c: 12.0614 ± 0.001 Å
• α: 92.839 ± 0.002°
• β: 103.105 ± 0.001°
• γ: 94.87 ± 0.001°
• Cell volume: 809.17 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0781
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1812
• Weighted residual factors for all reflections included in the refinement: 0.1984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No