Information card for entry 7119249

Structure parameters

• Formula: C11 H10 F0.25 N O
• Calculated formula: C9 H7 F2 N O
• SMILES: FC1(F)c2cc(ccc2NC1=O)C
• 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: 8.4538 ± 0.0008 Å
• b: 9.4567 ± 0.0007 Å
• c: 10.8021 ± 0.0008 Å
• α: 89.874 ± 0.006°
• β: 74.59 ± 0.008°
• γ: 81.932 ± 0.007°
• Cell volume: 823.73 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1168
• Weighted residual factors for all reflections included in the refinement: 0.1388
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No