Information card for entry 7157063

Structure parameters

• Formula: C17 H12 F2 N2 O
• Calculated formula: C17 H12 F2 N2 O
• Title of publication: Silver-promoted decarboxylative radical addition/annulation of oxamic acids with gem-difluoroolefins: concise access to CF₂-containing 3,4-dihydroquinolin-2-ones.
• Authors of publication: Chen, Guojun; Li, Chenglong; Peng, Jianfeng; Yuan, Zeli; Liu, Peijun; Liu, Xiaozu
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 37
• Pages of publication: 8527 - 8532
• a: 8.94 ± 0.0007 Å
• b: 10.9431 ± 0.0008 Å
• c: 14.3252 ± 0.0012 Å
• α: 90°
• β: 101.51 ± 0.008°
• γ: 90°
• Cell volume: 1373.27 ± 0.19 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1061
• Weighted residual factors for all reflections included in the refinement: 0.1152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No