Information card for entry 7244853
Formula |
C22 H22 Br2 Cl2 F4 N2 O4 |
Calculated formula |
C22 H22 Br2 Cl2 F4 N2 O4 |
Title of publication |
Enhanced luminescence of single-benzene fluorescent molecules through halogen bond cocrystals |
Authors of publication |
Yu, Fei; Zhang, Xiunan; Zhao, Hongtu; Jiang, Zhicheng; Wang, Ting; Wang, Na; Huang, Xin; Zhou, Lina; Hao, Hongxun |
Journal of publication |
CrystEngComm |
Year of publication |
2022 |
a |
7.411 ± 0.0003 Å |
b |
9.0343 ± 0.0006 Å |
c |
9.7976 ± 0.0006 Å |
α |
76.87 ± 0.005° |
β |
88.723 ± 0.005° |
γ |
84.956 ± 0.004° |
Cell volume |
636.36 ± 0.06 Å3 |
Cell temperature |
113.15 K |
Ambient diffraction temperature |
113.15 K |
Number of distinct elements |
7 |
Space group number |
2 |
Hermann-Mauguin space group symbol |
P -1 |
Hall space group symbol |
-P 1 |
Residual factor for all reflections |
0.0461 |
Residual factor for significantly intense reflections |
0.0342 |
Weighted residual factors for significantly intense reflections |
0.0684 |
Weighted residual factors for all reflections included in the refinement |
0.0726 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.046 |
Diffraction radiation probe |
x-ray |
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/7244853.html