Information card for entry 7122776
| Formula |
C29 H28 N4 O4 |
| Calculated formula |
C29 H28 N4 O4 |
| 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 |
9.9838 ± 0.0009 Å |
| b |
11.1579 ± 0.001 Å |
| c |
13.2772 ± 0.0012 Å |
| α |
96.26 ± 0.001° |
| β |
105.254 ± 0.001° |
| γ |
115.513 ± 0.001° |
| Cell volume |
1245.1 ± 0.19 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0464 |
| Residual factor for significantly intense reflections |
0.0398 |
| Weighted residual factors for significantly intense reflections |
0.098 |
| Weighted residual factors for all reflections included in the refinement |
0.1036 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.99 |
| 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/7122776.html
