Information card for entry 7133466

Structure parameters

• Formula: C23 H18 F6 N3 O1.5 S
• Calculated formula: C23 H17 F6 N3 O S
• Title of publication: Late-Stage Functionalization of the 4-amino-2-Pyridone Chemotype Using Electrochemical and MCR approaches
• Authors of publication: Giannessi, Lisa; Longo, Matteo; Massera, Chiara; Radi, Marco
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 13.8237 ± 0.0007 Å
• b: 50.84 ± 0.001 Å
• c: 12.4078 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8720.2 ± 0.6 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No