Information card for entry 4134239

Structure parameters

• Formula: C24 H23 F3 N O2
• Calculated formula: C20 H18 F3 N O2
• Title of publication: Oxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids.
• Authors of publication: Deng, Tianning; Mazumdar, Wrickban; Ford, Russell; Jana, Navendu; Izar, Ragda; Wink, Donald J.; Driver, Tom G.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2020
• a: 10.0206 ± 0.0014 Å
• b: 13.4853 ± 0.0018 Å
• c: 12.9729 ± 0.0018 Å
• α: 90°
• β: 96 ± 0.003°
• γ: 90°
• Cell volume: 1743.4 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.2101
• Residual factor for significantly intense reflections: 0.1026
• Weighted residual factors for significantly intense reflections: 0.2154
• Weighted residual factors for all reflections included in the refinement: 0.2533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.262
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No