Information card for entry 7160843

Structure parameters

• Formula: C20 H17 N3 O3
• Calculated formula: C20 H17 N3 O3
• Title of publication: Ru(II)-Catalyzed Site-Selective N-Directed C(sp²)–H Alkylation of Quinoxalinones with Maleimide
• Authors of publication: Monika, Monika; Kumar, Prashant; Singh, Brajendra Kumar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 13.3576 ± 0.0015 Å
• b: 9.1052 ± 0.0006 Å
• c: 27.6587 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3364 ± 0.5 ų
• Cell temperature: 256 ± 2 K
• Ambient diffraction temperature: 256 ± 2 K
• Number of distinct elements: 4
• 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: 0.1496
• Residual factor for significantly intense reflections: 0.0874
• Weighted residual factors for significantly intense reflections: 0.2527
• Weighted residual factors for all reflections included in the refinement: 0.3501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No