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Information card for entry 7160460
Preview
| Coordinates | 7160460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H24 F3 O3 P |
|---|---|
| Calculated formula | C25 H24 F3 O3 P |
| Title of publication | Palladium-Catalyzed Regio- and Enantio-selective Trifluoromethylated Allylic Alkylation of Diphenylphosphine Oxides |
| Authors of publication | Zhang, Shuaibo; Liu, Yunzhe; Sun, Luyang; Wang, Bangzhong; Zhao, Jinfeng; Qu, Jingping; Zhou, Yuhan |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2025 |
| a | 22.608 ± 0.003 Å |
| b | 5.6779 ± 0.0007 Å |
| c | 18.838 ± 0.002 Å |
| α | 90° |
| β | 101.948 ± 0.009° |
| γ | 90° |
| Cell volume | 2365.8 ± 0.5 Å3 |
| Cell temperature | 307 K |
| Ambient diffraction temperature | 307 K |
| Number of distinct elements | 5 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0427 |
| Residual factor for significantly intense reflections | 0.0409 |
| Weighted residual factors for significantly intense reflections | 0.1168 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298668 (current) | 2025-04-01 | cif/ Adding structures of 7160460 via cif-deposit CGI script. |
7160460.cif |
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Users of the data should acknowledge the original authors of the
structural data.