Information card for entry 7241932
| Formula |
C29 H21 F9 N2 O4 |
| Calculated formula |
C29 H21 F9 N2 O4 |
| SMILES |
O=C(OC)C1=C(CN(C(N1c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)C(=O)OC |
| Title of publication |
Self-reversible mechanofluorochromism of AIE-active C6-unsubstituted tetrahydropyrimidine derivatives |
| Authors of publication |
Liu, Yanshan; Liao, Yunhui; Ye, Ziwei; Chen, Lina; He, Yun; Huang, Yifan; Lai, Yingyu; Chen, Junguo; Zhu, Qiuhua |
| Journal of publication |
RSC Advances |
| Year of publication |
2021 |
| Journal volume |
11 |
| Journal issue |
1 |
| Pages of publication |
15 - 22 |
| a |
11.616 ± 0.0004 Å |
| b |
20.6335 ± 0.0007 Å |
| c |
23.3007 ± 0.0007 Å |
| α |
90° |
| β |
90° |
| γ |
90° |
| Cell volume |
5584.7 ± 0.3 Å3 |
| Cell temperature |
149.99 K |
| Ambient diffraction temperature |
149.99 K |
| Number of distinct elements |
5 |
| Space group number |
61 |
| Hermann-Mauguin space group symbol |
P b c a |
| Hall space group symbol |
-P 2ac 2ab |
| Residual factor for all reflections |
0.0842 |
| Residual factor for significantly intense reflections |
0.0743 |
| Weighted residual factors for significantly intense reflections |
0.1974 |
| Weighted residual factors for all reflections included in the refinement |
0.2085 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.049 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7241932.html
