Information card for entry 4519268

Structure parameters

• Formula: C19 H20 F2 N2 O
• Calculated formula: C19 H20 F2 N2 O
• SMILES: Fc1c(F)cc2nc(c(=O)n(c2c1)C)C12CC3CC(C1)CC(C2)C3
• Title of publication: Photoelectrochemical Decarboxylative C–H Alkylation of Quinoxalin-2(1H)-ones
• Authors of publication: Niu, Kaikai; Zhou, Pan; Ding, Ling; Hao, Yanke; Liu, Yuxiu; Song, Hongjian; Wang, Qingmin
• Journal of publication: ACS Sustainable Chemistry & Engineering
• Year of publication: 2021
• Journal volume: 9
• Journal issue: 49
• Pages of publication: 16820 - 16828
• a: 11.1841 ± 0.0005 Å
• b: 11.7671 ± 0.0004 Å
• c: 12.2739 ± 0.0006 Å
• α: 90°
• β: 105.7 ± 0.005°
• γ: 90°
• Cell volume: 1555.04 ± 0.12 ų
• Cell temperature: 113.15 K
• Ambient diffraction temperature: 113.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1263
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No