Information card for entry 7063430

Structure parameters

• Formula: C22 H20 N2 O3
• Calculated formula: C22 H20 N2 O3
• Title of publication: Synthesis of imidazole-fused pentacyclic pyrrolo[3,4-c]coumarins via base-promoted rearrangement of coumarin-substituted N-heterocyclic carbene precursors
• Authors of publication: Karataş, Mert Olgun; Özdemir, Namık; Küçükbay, Hasan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 8.085 ± 0.0016 Å
• b: 9.5451 ± 0.0018 Å
• c: 12.413 ± 0.003 Å
• α: 103.148 ± 0.016°
• β: 100.212 ± 0.016°
• γ: 100.313 ± 0.016°
• Cell volume: 893.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1585
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No