Information card for entry 1573928

Structure parameters

• Formula: C22 H23 F2 N O3
• Calculated formula: C22 H23 F2 N O3
• SMILES: FC(F)([C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OC)CCC1)C(=O)Nc1ccccc1.FC(F)([C@H]1[C@H](c2ccccc2)[C@@H](C(=O)OC)CCC1)C(=O)Nc1ccccc1
• Title of publication: Photocatalytic 1,3-difluoroalkylcarboxylation of alkenes by triple kinetic-controlled radical self-ordering.
• Authors of publication: Fu, Hong; Wang, Zuo-Shuai; Li, Si-Jia; Zhu, Lin-Yuan; Wang, Xiao-Jian; Wang, Hong-Chen; Han, Bing
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 14
• Pages of publication: 5849 - 5856
• a: 9.938 ± 0.0007 Å
• b: 10.9753 ± 0.0009 Å
• c: 11.084 ± 0.0007 Å
• α: 108.444 ± 0.006°
• β: 102.977 ± 0.006°
• γ: 113.996 ± 0.007°
• Cell volume: 956.77 ± 0.17 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 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: 0.0695
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No