Information card for entry 7132222

Structure parameters

• Formula: C21 H20 F3 N O4
• Calculated formula: C21 H20 F3 N O4
• Title of publication: Catalyst- and additive-free cascade radical addition/cyclization of N-arylacrylamides with trifluoropyruvates
• Authors of publication: Tan, Yongbo; Huang, Huawen
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 17.254 ± 0.0003 Å
• b: 13.3169 ± 0.0002 Å
• c: 19.1647 ± 0.0004 Å
• α: 90°
• β: 111.19 ± 0.002°
• γ: 90°
• Cell volume: 4105.74 ± 0.14 ų
• Cell temperature: 297.47 ± 0.1 K
• Ambient diffraction temperature: 297.47 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No