Information card for entry 7063149
Formula |
C39 H20 F10 N2 |
Calculated formula |
C39 H20 F10 N2 |
Title of publication |
Pyrrole and Pyridine Peripherally Fused Perylene: Columnar Packing, Anti-Kasha Dual Emission and Reactive Oxygen Species Generation |
Authors of publication |
Cao, Jing; Zhang, Wenhao; Ding, Yeda; Zhang, Xuejin; Zhang, Yuanyuan; Qiao, Dan; Biao, Shumin; Dong, Xuefei; Song, Jiayi; Dai, Gaole; Zhao, Ruiguo; Wang, Qing |
Journal of publication |
New Journal of Chemistry |
Year of publication |
2024 |
a |
10.3159 ± 0.0005 Å |
b |
30.2698 ± 0.0011 Å |
c |
15.1352 ± 0.0006 Å |
α |
90° |
β |
103.948 ± 0.003° |
γ |
90° |
Cell volume |
4586.8 ± 0.3 Å3 |
Cell temperature |
193 ± 2 K |
Ambient diffraction temperature |
193 K |
Number of distinct elements |
4 |
Space group number |
4 |
Hermann-Mauguin space group symbol |
P 1 21 1 |
Hall space group symbol |
P 2yb |
Residual factor for all reflections |
0.0699 |
Residual factor for significantly intense reflections |
0.0486 |
Weighted residual factors for significantly intense reflections |
0.1133 |
Weighted residual factors for all reflections included in the refinement |
0.1224 |
Goodness-of-fit parameter for all reflections included in the refinement |
1.054 |
Diffraction radiation wavelength |
1.34139 Å |
Diffraction radiation type |
GaKα |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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