Information card for entry 7122778
| Formula |
C31 H36 I2 N4 O5 |
| Calculated formula |
C31 H36 I2 N4 O5 |
| Title of publication |
Aggregation-induced emission (AIE)-active molecules bearing singlet oxygen generation activities: the tunable singlet-triplet energy gap matters |
| Authors of publication |
Zhang, Chengkai; Zhao, Yanqian; Li, Dandan; Liu, Jiejie; Han, Heguo; He, Daoyu; Tian, Xiaohe; Li, Shengli; Wu, Jieying; Tian, Yupeng |
| Journal of publication |
Chemical Communications |
| Year of publication |
2019 |
| a |
7.7972 ± 0.0009 Å |
| b |
13.3272 ± 0.0016 Å |
| c |
17.392 ± 0.002 Å |
| α |
107.811 ± 0.001° |
| β |
98.561 ± 0.001° |
| γ |
100.426 ± 0.002° |
| Cell volume |
1651.5 ± 0.3 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296.15 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 |
0.0577 |
| Residual factor for significantly intense reflections |
0.0357 |
| Weighted residual factors for significantly intense reflections |
0.0777 |
| Weighted residual factors for all reflections included in the refinement |
0.0862 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.039 |
| 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/7122778.html
