Information card for entry 1518196

Structure parameters

• Formula: C15 H17 F2 N O5
• Calculated formula: C15 H17 F2 N O5
• SMILES: FC(F)(c1cc(OC)c(OC)cc1C=O)C(=O)N1CCOCC1
• Title of publication: Visible-light-driven difluoroacetamidation of unactive arenes and heteroarenes by direct C-H functionalization at room temperature.
• Authors of publication: Wang, Lin; Wei, Xiao-Jing; Jia, Wen-Liang; Zhong, Jian-Ji; Wu, Li-Zhu; Liu, Qiang
• Journal of publication: Organic letters
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 5842 - 5845
• a: 10.3815 ± 0.0004 Å
• b: 8.8496 ± 0.0003 Å
• c: 16.7103 ± 0.0006 Å
• α: 90°
• β: 99.942 ± 0.004°
• γ: 90°
• Cell volume: 1512.16 ± 0.1 ų
• Cell temperature: 292.82 ± 0.1 K
• Ambient diffraction temperature: 292.82 ± 0.1 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: 0.0513
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No