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Information card for entry 7249273
Preview
| Coordinates | 7249273.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C7 H8 N2 O3 S |
|---|---|
| Calculated formula | C7 H8 N2 O3 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 | 22.162 ± 0.003 Å |
| b | 7.1809 ± 0.001 Å |
| c | 10.8505 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1726.8 ± 0.4 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.0349 |
| Residual factor for significantly intense reflections | 0.0306 |
| Weighted residual factors for significantly intense reflections | 0.0833 |
| Weighted residual factors for all reflections included in the refinement | 0.0867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.064 |
| 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. |
7249273.cif |
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Users of the data should acknowledge the original authors of the
structural data.