Information card for entry 7135315
| Formula |
C16 H10 N4 S |
| Calculated formula |
C16 H10 N4 S |
| Title of publication |
Red-fluorescence under UV and green-SHG under NIR dual-mode emission in yellow crystal of 1,2,5-thiadiazole derivative |
| Authors of publication |
Nakamura, Ryo; Sawamura, Yuta; Nakada, Kazushi; Mizoguchi, Ryusuke; Ishii, Ayumi; Yamashita, Tomohiro; Yokota, Hiroko; Richards, Gary James; Hori, Akiko |
| Journal of publication |
Chemical Communications |
| Year of publication |
2026 |
| a |
11.947 ± 0.009 Å |
| b |
17.077 ± 0.013 Å |
| c |
7.029 ± 0.005 Å |
| α |
90° |
| β |
111.18 ± 0.02° |
| γ |
90° |
| Cell volume |
1337.2 ± 1.7 Å3 |
| Cell temperature |
160 K |
| Ambient diffraction temperature |
160 K |
| Number of distinct elements |
4 |
| Space group number |
9 |
| Hermann-Mauguin space group symbol |
C 1 c 1 |
| Hall space group symbol |
C -2yc |
| Residual factor for all reflections |
0.0629 |
| Residual factor for significantly intense reflections |
0.0482 |
| Weighted residual factors for significantly intense reflections |
0.1223 |
| Weighted residual factors for all reflections included in the refinement |
0.1358 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.139 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7135315.html
