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Information card for entry 4037493
Preview
| Coordinates | 4037493.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H14 F7 N O |
|---|---|
| Calculated formula | C15 H14 F7 N O |
| SMILES | FC(CC1(c2c(N(C(=O)C)C1)cccc2)C)(C(F)(F)F)C(F)(F)F |
| Title of publication | Pd-Catalyzed Arylperfluoroalkylation of Unactivated Olefins for the Synthesis of Heterocycles. |
| Authors of publication | Zheng, Jinhua; Chen, Pan; Yuan, Yaofeng; Cheng, Jiajia |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2017 |
| Journal volume | 82 |
| Journal issue | 11 |
| Pages of publication | 5790 - 5797 |
| a | 7.461 ± 0.006 Å |
| b | 9.376 ± 0.008 Å |
| c | 23.221 ± 0.018 Å |
| α | 90° |
| β | 105.93 ± 0.02° |
| γ | 90° |
| Cell volume | 1562 ± 2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 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 | 0.0764 |
| Residual factor for significantly intense reflections | 0.0609 |
| Weighted residual factors for significantly intense reflections | 0.1886 |
| Weighted residual factors for all reflections included in the refinement | 0.2051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301828 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
4037493.cif |
| 236247 | 2019-11-24 | cif/ Adding structures of 4037493 via cif-deposit CGI script. |
4037493.cif |
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Users of the data should acknowledge the original authors of the
structural data.