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Information card for entry 7249274
Preview
| Coordinates | 7249274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C5 H5 Cl N2 O S |
|---|---|
| Calculated formula | C5 H5 Cl N2 O S |
| Title of publication | Convenient syntheses of 2-acylamino-4-halothiazoles and acylated derivatives using a versatile Boc-intermediate |
| Authors of publication | Pate, Sophie; Taujanskas, Joshua; Wells, Robyn; Robertson, Craig M.; O'Neill, Paul M.; Stachulski, Andrew V. |
| Journal of publication | RSC Advances |
| Year of publication | 2024 |
| Journal volume | 14 |
| Journal issue | 38 |
| Pages of publication | 27894 - 27903 |
| a | 5.0499 ± 0.0002 Å |
| b | 7.4591 ± 0.0003 Å |
| c | 9.4964 ± 0.0003 Å |
| α | 90.462 ± 0.003° |
| β | 91.106 ± 0.003° |
| γ | 108.081 ± 0.004° |
| Cell volume | 339.94 ± 0.02 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0264 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for significantly intense reflections | 0.0691 |
| Weighted residual factors for all reflections included in the refinement | 0.0701 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.067 |
| 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 |
|---|---|---|---|
| 294336 (current) | 2024-09-03 | cif/ Adding structures of 7249273, 7249274, 7249275 via cif-deposit CGI script. |
7249274.cif |
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Users of the data should acknowledge the original authors of the
structural data.