Information card for entry 7119248

Structure parameters

• Formula: C16 H13 F2 N O2
• Calculated formula: C16 H13 F2 N O2
• SMILES: FC(F)(c1c2[nH]c3c(c2ccc1)cccc3)C(=O)OCC
• Title of publication: Copper/B2pin2-catalyzed C-H difluoroacetylation-cycloamidation of anilines leading to the formation of 3,3-difluoro-2-oxindoles.
• Authors of publication: Ke, Miaolin; Song, Qiuling
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 14
• Pages of publication: 2222 - 2225
• a: 12.1928 ± 0.0012 Å
• b: 8.0344 ± 0.0006 Å
• c: 14.1806 ± 0.0013 Å
• α: 90°
• β: 103.454 ± 0.009°
• γ: 90°
• Cell volume: 1351 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No