Information card for entry 1575582
| Formula |
C57 H43 N2 O2 S |
| Calculated formula |
C57 H43 N2 O2 S |
| Title of publication |
π-Bridge Engineering Strategy: Tailoring S-Xanthene Dyes with Strong Absorption for High-Efficiency Photothermal Therapy |
| Authors of publication |
Zhao, Yu; Zhang, Rui-Rui; Wang, Nan; Tian, Xiao-Li; Zhang, Li-Na; Xia, Wen-Li; Wang, Zhouyu; Yu, Xiao-Qi; Li, Kun |
| Journal of publication |
Materials Horizons |
| Year of publication |
2025 |
| a |
13.0788 ± 0.0002 Å |
| b |
16.7275 ± 0.0002 Å |
| c |
23.7123 ± 0.0003 Å |
| α |
102.031 ± 0.001° |
| β |
92.156 ± 0.001° |
| γ |
108.326 ± 0.001° |
| Cell volume |
4786.58 ± 0.12 Å3 |
| Cell temperature |
100 ± 0.1 K |
| Ambient diffraction temperature |
100 ± 0.1 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 |
0.0858 |
| Residual factor for significantly intense reflections |
0.0752 |
| Weighted residual factors for significantly intense reflections |
0.1746 |
| Weighted residual factors for all reflections included in the refinement |
0.1797 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.3405 Å |
| Diffraction radiation type |
micro-focusmetaljet |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1575582.html
