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Information card for entry 1555227
Preview
| Coordinates | 1555227.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H25 F3 I N O4 S |
|---|---|
| Calculated formula | C24 H25 F3 I N O4 S |
| Title of publication | Palladium-Catalyzed Radical Cascade Iododifluoromethylation/Cyclization of 1,6-Enynes with Ethyl Difluoroiodoacetate. |
| Authors of publication | Wang, Yu-Qi; He, Yu-Tao; Zhang, Lu-Lu; Wu, Xin-Xing; Liu, Xue-Yuan; Liang, Yong-Min |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 17 |
| Pages of publication | 4280 - 4283 |
| a | 13.4658 ± 0.0003 Å |
| b | 20.2837 ± 0.0007 Å |
| c | 19.439 ± 0.0005 Å |
| α | 90° |
| β | 100.921 ± 0.002° |
| γ | 90° |
| Cell volume | 5213.3 ± 0.3 Å3 |
| Cell temperature | 293.18 ± 0.1 K |
| Ambient diffraction temperature | 293.18 ± 0.1 K |
| Number of distinct elements | 7 |
| 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 | 0.1263 |
| Residual factor for significantly intense reflections | 0.06 |
| Weighted residual factors for significantly intense reflections | 0.1152 |
| Weighted residual factors for all reflections included in the refinement | 0.1529 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238407 (current) | 2019-11-24 | cif/ Adding structures of 1555227 via cif-deposit CGI script. |
1555227.cif |
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Users of the data should acknowledge the original authors of the
structural data.