Information card for entry 7250160

Structure parameters

• Formula: C19 H21 N3 O4
• Calculated formula: C19 H21 N3 O4
• Title of publication: Electrochemical oxidation–cyclocondensation of chitin-derived 3-acetamido-5-acetylfuran (3A5AF) for the synthesis of 3-acetyl-4-acetamidopyrrolin-2-ones
• Authors of publication: Arteaga Giraldo, Juan J.; Söhnel, Tilo; Kilmartin, Paul A.; Sperry, Jonathan
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 16
• Pages of publication: 4259 - 4266
• a: 9.5658 ± 0.0008 Å
• b: 8.2756 ± 0.0005 Å
• c: 22.671 ± 0.002 Å
• α: 90°
• β: 99.436 ± 0.009°
• γ: 90°
• Cell volume: 1770.4 ± 0.2 ų
• Cell temperature: 120 ± 0.4 K
• Ambient diffraction temperature: 120 ± 0.4 K
• Number of distinct elements: 4
• 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: 0.1029
• Residual factor for significantly intense reflections: 0.0823
• Weighted residual factors for significantly intense reflections: 0.1888
• Weighted residual factors for all reflections included in the refinement: 0.198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No