Information card for entry 1568654

Structure parameters

• Formula: C15 H11 F6 N O S
• Calculated formula: C15 H11 F6 N O S
• Title of publication: Novel N(SCF₃)(CF₃)-amines: synthesis, scalability and stability.
• Authors of publication: Yang, Yi; Saffon-Merceron, Nathalie; Vantourout, Julien C.; Tlili, Anis
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 14
• Pages of publication: 3893 - 3898
• a: 6.173 ± 0.004 Å
• b: 7.53 ± 0.004 Å
• c: 17.45 ± 0.01 Å
• α: 99.942 ± 0.015°
• β: 93.614 ± 0.016°
• γ: 95.649 ± 0.016°
• Cell volume: 792.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1681
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No