Information card for entry 7160868

Structure parameters

• Formula: C22 H14 Cl2 N4 O2
• Calculated formula: C22 H14 Cl2 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
• Journal volume: 23
• Journal issue: 47
• Pages of publication: 10753 - 10759
• a: 12.6257 ± 0.0005 Å
• b: 14.2516 ± 0.0006 Å
• c: 21.6716 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3899.5 ± 0.3 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0761
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.204
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No