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Information card for entry 7160216
Preview
| Coordinates | 7160216.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C8 H6 N4 S |
|---|---|
| Calculated formula | C8 H6 N4 S |
| Title of publication | Azophotoswitches containing thiazole, isothiazole, thiadiazole, and isothiadiazole |
| Authors of publication | Cheruthu, Nusaiba Madappuram; Hashim, P. K.; Sahu, Saugata; Takahashi, Kiyonori; Nakamura, Takayoshi; Mitomo, Hideyuki; Ijiro, Kuniharu; Tamaoki, Nobuyuki |
| Journal of publication | Organic & Biomolecular Chemistry |
| Year of publication | 2024 |
| a | 5.9619 ± 0.0003 Å |
| b | 8.0466 ± 0.0006 Å |
| c | 18.143 ± 0.0011 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 870.37 ± 0.09 Å3 |
| Cell temperature | 200 ± 0.14 K |
| Ambient diffraction temperature | 200 ± 0.14 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.059 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1131 |
| Weighted residual factors for all reflections included in the refinement | 0.1183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| 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 |
|---|---|---|---|
| 295817 (current) | 2024-11-07 | cif/ Adding structures of 7160210, 7160211, 7160212, 7160213, 7160214, 7160215, 7160216, 7160217 via cif-deposit CGI script. |
7160216.cif |
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Users of the data should acknowledge the original authors of the
structural data.