Information card for entry 7063970

Structure parameters

• Chemical name: dimethyl 2-(1,3-dimethoxy-1,3-dioxopropan-2-yl)-5-oxo-3-phenyl-2,5-dihydro-1H-pyrrole-2,4-dicarboxylate
• Formula: C19 H19 N O9
• Calculated formula: C19 H19 N O9
• Title of publication: Cascade reaction of 2-bromo-2H-azirine-2-carboxylate with malonic esters: facile access to highly substituted pyrrolinones
• Authors of publication: Pradhan, Priyankar; Shaikh Sumaiya, A.; Jagadeesh Babu, N.; Sudhakar, Gangarajula
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 15573 - 15577
• a: 8.8295 ± 0.0007 Å
• b: 9.3887 ± 0.0008 Å
• c: 12.4254 ± 0.0011 Å
• α: 69.679 ± 0.003°
• β: 88.609 ± 0.003°
• γ: 85.821 ± 0.003°
• Cell volume: 963.36 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.2087
• Weighted residual factors for all reflections included in the refinement: 0.2366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No