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 |
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The link is:
https://www.crystallography.net/7244853.html
