Information card for entry 7160867

Structure parameters

• Formula: C22 H22 N4 O2
• Calculated formula: C22 H22 N4 O2
• Title of publication: Ruthenium(II)-catalyzed regioselective C-H alkylation of pyridotriazoles with maleimides: access to triazolopyridine-succinimide scaffolds.
• Authors of publication: More, Karan Prakash; Valvi, Mangesh Biramya; Shubham, ?; Adimurthy, Subbarayappa
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• a: 10.5956 ± 0.0015 Å
• b: 21.835 ± 0.003 Å
• c: 8.2544 ± 0.001 Å
• α: 90°
• β: 92.378 ± 0.005°
• γ: 90°
• Cell volume: 1908.1 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 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: 0.0921
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1791
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No