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Information card for entry 1565187
Preview
| Coordinates | 1565187.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H22 F6 I N O2 |
|---|---|
| Calculated formula | C19 H22 F6 I N O2 |
| Title of publication | Ritter-type iodo(III)amidation of unactivated alkynes for the stereoselective synthesis of multisubstituted enamides |
| Authors of publication | Chai, Jinkui; Ding, Wei; Wang, Chen; Ito, Shingo; Wu, Junliang; Yoshikai, Naohiko |
| Journal of publication | Chemical Science |
| Year of publication | 2021 |
| a | 10.9318 ± 0.0005 Å |
| b | 28.7192 ± 0.0012 Å |
| c | 13.4936 ± 0.0005 Å |
| α | 90° |
| β | 92.8262 ± 0.0019° |
| γ | 90° |
| Cell volume | 4231.2 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1108 |
| Residual factor for significantly intense reflections | 0.0669 |
| Weighted residual factors for significantly intense reflections | 0.1307 |
| Weighted residual factors for all reflections included in the refinement | 0.1466 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 270601 (current) | 2021-11-12 | cif/ Adding structures of 1565185, 1565186, 1565187 via cif-deposit CGI script. |
1565187.cif |
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Users of the data should acknowledge the original authors of the
structural data.