Information card for entry 7135710

Structure parameters

• Formula: C22 H15 N3 O5
• Calculated formula: C22 H15 N3 O5
• Title of publication: Ligand-Free Nickel-Catalyzed Arylation Cascades for Accessing Pyrrolopyridin-2-one, Pyranoindole-2,7-dione, and Indolin-2-one Frameworks with Mechanistic Insights
• Authors of publication: Ahamed, Shamim; Mandal, Uma Sankar; Manna, Debashree; Ghosh, Tapas
• Journal of publication: Chemical Communications
• Year of publication: 2026
• a: 9.3324 ± 0.0007 Å
• b: 21.7592 ± 0.0016 Å
• c: 9.8515 ± 0.0007 Å
• α: 90°
• β: 112.594 ± 0.003°
• γ: 90°
• Cell volume: 1847 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 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: 0.3153
• Residual factor for significantly intense reflections: 0.2223
• Weighted residual factors for significantly intense reflections: 0.4795
• Weighted residual factors for all reflections included in the refinement: 0.5679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.888
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No