Information card for entry 7242323

Structure parameters

• Formula: C19 H18 N2 O2
• Calculated formula: C19 H18 N2 O2
• SMILES: O=C1N(Cc2cccc(C)c2)c2c(NC\1=C/C(=O)C)cccc2
• Title of publication: A combination of heterogeneous catalysis and photocatalysis for the olefination of quinoxalin-2(1H)-ones with ketones in water: a green and efficient route to (Z)-enaminones
• Authors of publication: Xu, Jun; Huang, Lin; He, Lei; Ni, Zhigang; Shen, Jiabin; Li, Xiaoling; Chen, Kaixian; Li, Wanmei; Zhang, Pengfei
• Journal of publication: Green Chemistry
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 5
• Pages of publication: 2123 - 2129
• a: 10.6894 ± 0.0013 Å
• b: 10.6948 ± 0.0014 Å
• c: 13.7194 ± 0.0017 Å
• α: 90°
• β: 91.046 ± 0.002°
• γ: 90°
• Cell volume: 1568.2 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 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: 0.0533
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No