Information card for entry 7242541
| Formula |
C32 H24 F4 O4 |
| Calculated formula |
C32 H24 F4 O4 |
| SMILES |
O=C(c1ccc(OC)cc1)[C@H]1[C@@H](C(=O)c2ccc(OC)cc2)[C@@H]([C@@H]1c1cc(F)cc(F)c1)c1cc(F)cc(F)c1 |
| Title of publication |
Fluorine as a robust balancer for tuning the reactivity of topo-photoreactions of chalcones and the photomechanical effects of molecular crystals |
| Authors of publication |
Shu, Yuanhong; Ye, Kaiqi; Yue, Yuan; Sun, Jingbo; Wang, Haoran; Zhong, Jiangbin; Yang, Xiqiao; Gao, Hongqiang; Lu, Ran |
| Journal of publication |
CrystEngComm |
| Year of publication |
2021 |
| Journal volume |
23 |
| Journal issue |
34 |
| Pages of publication |
5856 - 5868 |
| a |
9.0972 ± 0.0009 Å |
| b |
11.7453 ± 0.0013 Å |
| c |
13.5987 ± 0.0015 Å |
| α |
115.013 ± 0.004° |
| β |
92.409 ± 0.004° |
| γ |
91.562 ± 0.004° |
| Cell volume |
1313.9 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100.15 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 |
0.0832 |
| Residual factor for significantly intense reflections |
0.0466 |
| Weighted residual factors for significantly intense reflections |
0.0996 |
| Weighted residual factors for all reflections included in the refinement |
0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.013 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| 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/7242541.html
