Information card for entry 7245630

Structure parameters

• Formula: C22 H22 F3 N3 O2
• Calculated formula: C22 H22 F3 N3 O2
• SMILES: C(C)(C)(C)NC(=O)c1ccccc1Cc1c(=O)n(c2c(cc(cc2)C(F)(F)F)n1)C
• Title of publication: Remote C(sp3)–H heteroarylation of N-fluorocarboxamides with quinoxalin-2(1H)-ones under visible-light-induced photocatalyst-free conditions
• Authors of publication: Xuan, Liangming; Du, Ruyang; Lei, Panpan; Zhao, Wei; Tan, Lixiang; Ni, Chuanzhi; Wang, Haifeng; Yan, Qiongjiao; Wang, Wei; Chen, Fener
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 9475 - 9481
• a: 8.6009 ± 0.0012 Å
• b: 21.017 ± 0.003 Å
• c: 11.5416 ± 0.0015 Å
• α: 90°
• β: 94.661 ± 0.003°
• γ: 90°
• Cell volume: 2079.4 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No