Information card for entry 7160897

Structure parameters

• Formula: C23 H12 Cl3 N3 O
• Calculated formula: C23 H12 Cl3 N3 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: 11.925 ± 0.003 Å
• b: 11.551 ± 0.003 Å
• c: 14.849 ± 0.004 Å
• α: 90°
• β: 97.201 ± 0.008°
• γ: 90°
• Cell volume: 2029.3 ± 0.9 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0563
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No