Information card for entry 1552291
| Formula |
C39 H31 Cl2 I N4 S |
| Calculated formula |
C39 H31 Cl2 I N4 S |
| SMILES |
s1c([n+](c2c1cccc2)C)/C=C/c1ccc(N(c2ccc(cc2)c2ccncc2)c2ccc(c3ccncc3)cc2)cc1.[I-].ClCCl |
| Title of publication |
Charge-Driven Tripod Somersault on DNA for Ratiometric Fluorescence Imaging of Small Molecules in Nucleus |
| Authors of publication |
Wang, Kang-Nan; Cao, Qian; Liu, Liu-Yi; Zhao, Zi-Jian; Liu, Wen-Ting; Zhou, Dan-Jie; Tan, Caiping; Xia, Wei; Ji, Liangnian; Mao, Zong-Wan |
| Journal of publication |
Chemical Science |
| Year of publication |
2019 |
| a |
9.9365 ± 0.0003 Å |
| b |
10.4295 ± 0.0003 Å |
| c |
18.8256 ± 0.0005 Å |
| α |
94.895 ± 0.002° |
| β |
96.163 ± 0.002° |
| γ |
115.854 ± 0.003° |
| Cell volume |
1726.38 ± 0.1 Å3 |
| Cell temperature |
293 K |
| Ambient diffraction temperature |
293 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1033 |
| Residual factor for significantly intense reflections |
0.0936 |
| Weighted residual factors for significantly intense reflections |
0.2586 |
| Weighted residual factors for all reflections included in the refinement |
0.2763 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
For the version history of this entry, please navigate to main COD server.
The link is:
https://www.crystallography.net/1552291.html
