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Information card for entry 7250579
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| Coordinates | 7250579.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H17 N S |
|---|---|
| Calculated formula | C19 H17 N S |
| Title of publication | Engineering visible-to-ultraviolet emission switching of benzothiazole-based mechanochromic materials |
| Authors of publication | Yoshino, Riku; Kobayashi, Kazuki; Yang, Peiyuan; Fukumoto, Hiroki; Yasui, Motohiro; Yamada, Shigeyuki; Konno, Tsutomu; Morita, Masato |
| Journal of publication | CrystEngComm |
| Year of publication | 2025 |
| a | 17.7329 ± 0.0007 Å |
| b | 18.9012 ± 0.0004 Å |
| c | 37.568 ± 0.0014 Å |
| α | 90° |
| β | 119.535 ± 0.005° |
| γ | 90° |
| Cell volume | 10955.5 ± 0.8 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 4 |
| 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 | 0.1176 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1888 |
| Weighted residual factors for all reflections included in the refinement | 0.2249 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300164 (current) | 2025-06-24 | cif/ Adding structures of 7250578, 7250579 via cif-deposit CGI script. |
7250579.cif |
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Users of the data should acknowledge the original authors of the
structural data.