Information card for entry 7127237

Structure parameters

• Formula: C19 H13 F6 N3 O4
• Calculated formula: C19 H13 F6 N3 O4
• Title of publication: Copper-catalyzed chemoselective C-H functionalization of quinoxalin-2(1<i>H</i>)-ones with hexafluoroisopropanol.
• Authors of publication: Su, Hai-Yan; Zhu, Xiao-Lei; Huang, Yangen; Xu, Xiu-Hua; Qing, Feng-Ling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 84
• Pages of publication: 12805 - 12808
• a: 10.5749 ± 0.0004 Å
• b: 11.9556 ± 0.0004 Å
• c: 15.5244 ± 0.0006 Å
• α: 90°
• β: 94.202 ± 0.001°
• γ: 90°
• Cell volume: 1957.46 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0549
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1158
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No