Information card for entry 7160896

Structure parameters

• Formula: C22 H14 N4 O
• Calculated formula: C22 H14 N4 O
• Title of publication: Ruthenium-Catalyzed Late-Stage C–H Alkenylation of N-arylpyridazino[4,5-b] quinolin-1(2H)-ones
• Authors of publication: Kameshwaran, Chinnagounder; Nawaz Khan, Fazlur-Rahman
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 13.329 ± 0.0006 Å
• b: 6.8873 ± 0.0003 Å
• c: 19.3643 ± 0.0009 Å
• α: 90°
• β: 100.513 ± 0.002°
• γ: 90°
• Cell volume: 1747.82 ± 0.14 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 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: 0.0942
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No