Information card for entry 7160901

Structure parameters

• Formula: C27 H19 N3 O3
• Calculated formula: C27 H19 N3 O3
• 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: 10.4666 ± 0.0006 Å
• b: 13.69 ± 0.0008 Å
• c: 14.9463 ± 0.0009 Å
• α: 90°
• β: 100.902 ± 0.002°
• γ: 90°
• Cell volume: 2103 ± 0.2 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1257
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No