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Information card for entry 8104658
Preview
| Coordinates | 8104658.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C10 H9 N S |
|---|---|
| Calculated formula | C10 H9 N S |
| Title of publication | The crystal structure of 2,5-bis(3,5-dimethylphenyl)thiazolo[5,4-d]thiazole, C20H18N2S2 |
| Authors of publication | Zhai, Zhi-Wei; Yang, Shuang-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2021 |
| Journal volume | 236 |
| Journal issue | 5 |
| Pages of publication | 1031 - 1033 |
| a | 7.9214 ± 0.0001 Å |
| b | 6.0808 ± 0.0001 Å |
| c | 17.8091 ± 0.0003 Å |
| α | 90° |
| β | 90.592 ± 0.002° |
| γ | 90° |
| Cell volume | 857.79 ± 0.02 Å3 |
| Cell temperature | 149.99 ± 0.1 K |
| Ambient diffraction temperature | 149.99 ± 0.1 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 | 0.0392 |
| Residual factor for significantly intense reflections | 0.0382 |
| Weighted residual factors for significantly intense reflections | 0.1044 |
| Weighted residual factors for all reflections included in the refinement | 0.1051 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.06 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 273486 (current) | 2022-03-07 | cif/ Adding structures of 8104658 via cif-deposit CGI script. |
8104658.cif |
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Users of the data should acknowledge the original authors of the
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