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Information card for entry 1568539
Preview
| Coordinates | 1568539.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H18 N2 S2 |
|---|---|
| Calculated formula | C24 H18 N2 S2 |
| Title of publication | Hypervalent iodine-promoted twofold oxidative coupling of amines with amides and thioamides: chemoselective pathway to oxazoles and thiazoles. |
| Authors of publication | Nan, Jiang; Ren, Xin; Yan, Qiang; Liu, Shilei; Wang, Jing; Ma, Yangmin; Szostak, Michal |
| Journal of publication | Chemical science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 12 |
| Pages of publication | 3338 - 3345 |
| a | 7.5785 ± 0.0006 Å |
| b | 19.2356 ± 0.0016 Å |
| c | 13.4588 ± 0.0011 Å |
| α | 90° |
| β | 92.817 ± 0.002° |
| γ | 90° |
| Cell volume | 1959.6 ± 0.3 Å3 |
| Cell temperature | 273.15 K |
| Ambient diffraction temperature | 273.15 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1076 |
| Residual factor for significantly intense reflections | 0.0731 |
| Weighted residual factors for significantly intense reflections | 0.15 |
| Weighted residual factors for all reflections included in the refinement | 0.1686 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282310 (current) | 2023-04-04 | cif/ Updating files of 1568538, 1568539 Original log message: Adding full bibliography for 1568538--1568539.cif. |
1568539.cif |
| 281163 | 2023-02-28 | cif/ Adding structures of 1568538, 1568539 via cif-deposit CGI script. |
1568539.cif |
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Users of the data should acknowledge the original authors of the
structural data.