Information card for entry 7158949

Structure parameters

• Formula: C22 H16 N2 O2
• Calculated formula: C22 H16 N2 O2
• SMILES: n1c2c(n(c(=O)c1c1c(C(=O)c3ccccc3)cccc1)C)cccc2
• Title of publication: Sustainable C-H Activation Approach for Palladium-Catalyzed, Regioselective, Functionalization of 1-Methyl-3-phenyl quinoxaline-2(1H)-ones in Water
• Authors of publication: Prince, Prince; Kumar, Sandeep; Lalji, Ram Sunil Kumar; Gupta, Mohit; Kumar, Prashant; Kumar, Ravindra; Singh, Brajendra Kumar
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2022
• a: 24.354 ± 0.003 Å
• b: 8.7486 ± 0.0014 Å
• c: 16.091 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3428.4 ± 0.8 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.211
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.1474
• Weighted residual factors for all reflections included in the refinement: 0.199
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No