Information card for entry 7207676
| Formula |
C32 H26 N2 O4 S |
| Calculated formula |
C32 H26 N2 O4 S |
| SMILES |
c12ccccc1cc1ccccc1c2C(=O)Nc1ccc(c(c1)c1nc2c(cccc2)s1)O.CC(=O)OCC |
| Title of publication |
A small change in molecular structure, a big difference in the AIEE mechanism. |
| Authors of publication |
Cai, Minmin; Gao, Zhiqiang; Zhou, Xinhui; Wang, Xupeng; Chen, Shufen; Zhao, Yuezhi; Qian, Yan; Shi, Naien; Mi, Baoxiu; Xie, Linghai; Huang, Wei |
| Journal of publication |
Physical chemistry chemical physics : PCCP |
| Year of publication |
2012 |
| Journal volume |
14 |
| Journal issue |
15 |
| Pages of publication |
5289 - 5296 |
| a |
9.119 ± 0.007 Å |
| b |
10.382 ± 0.008 Å |
| c |
15.374 ± 0.011 Å |
| α |
105.468 ± 0.009° |
| β |
95.318 ± 0.009° |
| γ |
100.648 ± 0.01° |
| Cell volume |
1363.1 ± 1.8 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 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 |
0.0513 |
| Residual factor for significantly intense reflections |
0.0414 |
| Weighted residual factors for significantly intense reflections |
0.115 |
| Weighted residual factors for all reflections included in the refinement |
0.1219 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.063 |
| 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/7207676.html
