Information card for entry 7119250

Structure parameters

• Formula: C11 H10 F0.25 N O
• Calculated formula: C12 H7 F2 N O
• SMILES: FC1(F)c2c(NC1=O)ccc1c2cccc1
• 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: 10.9946 ± 0.001 Å
• b: 7.5522 ± 0.0007 Å
• c: 11.4653 ± 0.001 Å
• α: 90°
• β: 97.431 ± 0.009°
• γ: 90°
• Cell volume: 944.01 ± 0.15 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: 0.0668
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No