Information card for entry 7249415

Structure parameters

• Chemical name: Borane-N-benzyl-1-cyclohexylmethanamine
• Formula: C14 H24 B N
• Calculated formula: C14 H24 B N
• Title of publication: TiF₄-mediated, one-pot, reductive amination of carboxylic acids with borane-ammonia.
• Authors of publication: Snyder, Madison J.; Alawaed, Abdulkhaliq A.; Li, Chunge; Pacentine, Samantha; Hamann, Henry J.; Ramachandran, P. Veeraraghavan
• Journal of publication: RSC advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 42
• Pages of publication: 31205 - 31209
• a: 8.552 ± 0.002 Å
• b: 9.056 ± 0.004 Å
• c: 9.909 ± 0.003 Å
• α: 68.308 ± 0.01°
• β: 71.722 ± 0.013°
• γ: 79.828 ± 0.013°
• Cell volume: 675.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.1199
• Weighted residual factors for all reflections included in the refinement: 0.1336
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No