Information card for entry 7133467

Structure parameters

• Formula: C48.5 H34.5 Cl7.5 F12 N6 O2 S4
• Calculated formula: C48 H34 Cl6 F12 N6 O2 S4
• 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: 10.964 ± 0.0007 Å
• b: 14.7925 ± 0.0009 Å
• c: 19.047 ± 0.0009 Å
• α: 79.382 ± 0.002°
• β: 87.727 ± 0.002°
• γ: 73.299 ± 0.002°
• Cell volume: 2907.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1016
• Residual factor for significantly intense reflections: 0.0989
• Weighted residual factors for significantly intense reflections: 0.3598
• Weighted residual factors for all reflections included in the refinement: 0.375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No