Information card for entry 7134055

Structure parameters

• Formula: C14 H23 F3 N O3 S0.5
• Calculated formula: C14 H23 F3 N O3 S0.5
• Title of publication: Convenient lanthanum-mediated synthesis of bulky <i>tert</i>-alkyl amines from nitriles.
• Authors of publication: Burke, Emily K.; Robertson, Katherine N.; Speed, Alexander W. H.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 6
• Pages of publication: 1172 - 1175
• a: 29.6157 ± 0.0017 Å
• b: 8.9695 ± 0.0005 Å
• c: 12.2342 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3249.9 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0289
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0691
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No