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Information card for entry 7249275
Preview
| Coordinates | 7249275.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H30 Cl2 N4 O12 S2 |
|---|---|
| Calculated formula | C42 H30 Cl2 N4 O12 S2 |
| 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 | 20.4035 ± 0.0006 Å |
| b | 8.6054 ± 0.0003 Å |
| c | 23.5849 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4141 ± 0.2 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 6 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.0584 |
| Residual factor for significantly intense reflections | 0.0441 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1082 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7249275.cif |
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Users of the data should acknowledge the original authors of the
structural data.