Information card for entry 7242539
| Formula |
C32 H22 F6 O2 |
| Calculated formula |
C32 H22 F6 O2 |
| SMILES |
Fc1cc(C2C(C(=O)c3ccc(cc3)C)C(c3cc(F)c(F)c(F)c3)C2C(=O)c2ccc(cc2)C)cc(F)c1F |
| 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 |
13.6767 ± 0.0005 Å |
| b |
8.6874 ± 0.0003 Å |
| c |
11.331 ± 0.0004 Å |
| α |
90° |
| β |
107.084 ± 0.001° |
| γ |
90° |
| Cell volume |
1286.89 ± 0.08 Å3 |
| Cell temperature |
116 ± 2 K |
| Ambient diffraction temperature |
116.06 K |
| Number of distinct elements |
4 |
| Space group number |
7 |
| Hermann-Mauguin space group symbol |
P 1 c 1 |
| Hall space group symbol |
P -2yc |
| Residual factor for all reflections |
0.0559 |
| Residual factor for significantly intense reflections |
0.0542 |
| Weighted residual factors for significantly intense reflections |
0.1156 |
| Weighted residual factors for all reflections included in the refinement |
0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.271 |
| 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/7242539.html
