Information card for entry 1557860
| Formula |
C8 H4 N2 |
| Calculated formula |
C8 H4 N2 |
| SMILES |
c1(C#N)ccc(C#N)cc1 |
| Title of publication |
Activating Intersystem Crossing and Aggregation Coupling by CN-Substitution for Efficient Organic Ultralong Room Temperature Phosphorescence |
| Authors of publication |
Yuan, Jie; Wang, Yongrong; Li, Ling; Wang, Shuang; Tang, Xingxing; Wang, Honglei; Li, Mingguang; Zheng, Chao; Chen, Runfeng |
| Journal of publication |
The Journal of Physical Chemistry C |
| Year of publication |
2020 |
| a |
3.781 ± 0.003 Å |
| b |
6.45 ± 0.005 Å |
| c |
7.27 ± 0.005 Å |
| α |
114.297 ± 0.013° |
| β |
92.785 ± 0.015° |
| γ |
97.812 ± 0.016° |
| Cell volume |
159 ± 0.2 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100.01 K |
| Number of distinct elements |
3 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.055 |
| Residual factor for significantly intense reflections |
0.0503 |
| Weighted residual factors for significantly intense reflections |
0.1362 |
| Weighted residual factors for all reflections included in the refinement |
0.1415 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.077 |
| 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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https://www.crystallography.net/1557860.html
