Information card for entry 7063428

Structure parameters

• Formula: C23 H22 N2 O2
• Calculated formula: C23 H22 N2 O2
• 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: 8.987 ± 0.0009 Å
• b: 17.1569 ± 0.0016 Å
• c: 24.1034 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3716.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1333
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No