Information card for entry 1573927

Structure parameters

• Formula: C20 H21 F2 N O3
• Calculated formula: C20 H21 F2 N O3
• SMILES: FC(F)(C(=O)Nc1ccccc1)[C@H]([C@H](CC(=O)OC)c1ccccc1)C.FC(F)(C(=O)Nc1ccccc1)[C@@H]([C@@H](CC(=O)OC)c1ccccc1)C
• 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: 10.45569 ± 0.00015 Å
• b: 18.57018 ± 0.00019 Å
• c: 10.44754 ± 0.00014 Å
• α: 90°
• β: 115.809 ± 0.0017°
• γ: 90°
• Cell volume: 1826.19 ± 0.05 ų
• Cell temperature: 280 ± 1 K
• Ambient diffraction temperature: 280 ± 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: 0.0394
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No