Information card for entry 1576397
| Formula |
C46 H30 Cl4 N4 S2 |
| Calculated formula |
C46 H30 Cl4 N4 S2 |
| Title of publication |
Regulation and Mechanisms of Full-Visible-Spectrum Emission in Solid and Liquid States for D-π-A Cyanobenzene-Phenothiazine Fluorescent Molecules |
| Authors of publication |
Li, Wenhao; Niu, Mengyao; Zhu, Yi-Yun; Zhang, Man; Gao, Haoyu; Zhang, Xin-Chao; Yang, Bo; Wei, Donghui; Chen, Xuenian |
| Journal of publication |
Chemical Science |
| Year of publication |
2025 |
| a |
10.241 ± 0.0005 Å |
| b |
13.4271 ± 0.0008 Å |
| c |
17.0627 ± 0.0007 Å |
| α |
97.761 ± 0.004° |
| β |
105.606 ± 0.004° |
| γ |
111.993 ± 0.005° |
| Cell volume |
2021 ± 0.2 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0787 |
| Residual factor for significantly intense reflections |
0.0642 |
| Weighted residual factors for significantly intense reflections |
0.1772 |
| Weighted residual factors for all reflections included in the refinement |
0.1939 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.034 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1576397.html
