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Information card for entry 7160159
Preview
| Coordinates | 7160159.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H8 N2 O S |
|---|---|
| Calculated formula | C8 H8 N2 O S |
| Title of publication | Synthesis of hydroxy-thiazoline substituted pyridine derivatives <i>via</i> [3 + 2] annulation of 1,4-dithiane-2,5-diol with cyanopyridine. |
| Authors of publication | Zhang, Mengcheng; Chen, Yuying; Yan, Xiaoyu; Zhang, Yonggang; Ma, Xiantao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2024 |
| Journal volume | 22 |
| Journal issue | 42 |
| Pages of publication | 8511 - 8515 |
| a | 5.0399 ± 0.0003 Å |
| b | 15.0255 ± 0.0011 Å |
| c | 11.3318 ± 0.0009 Å |
| α | 90° |
| β | 93.975 ± 0.002° |
| γ | 90° |
| Cell volume | 856.06 ± 0.11 Å3 |
| Cell temperature | 296.15 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| 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 | 0.04 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0922 |
| Weighted residual factors for all reflections included in the refinement | 0.0969 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296677 (current) | 2024-12-06 | cif/ Updating files of 7160159 Original log message: Adding full bibliography for 7160159.cif. |
7160159.cif |
| 294948 | 2024-10-01 | cif/ Adding structures of 7160159 via cif-deposit CGI script. |
7160159.cif |
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Users of the data should acknowledge the original authors of the
structural data.