Information card for entry 1518411
| Chemical name |
TPP-2PM |
| Formula |
C42 H32 N2 O2 |
| Calculated formula |
C42 H32 N2 O2 |
| SMILES |
O(c1ccc(c2ccc(c3nc(c(nc3c3ccccc3)c3ccccc3)c3ccc(cc3)c3ccc(OC)cc3)cc2)cc1)C |
| Title of publication |
Tetraphenylpyrazine-based AIEgens: facile preparation and tunable light emission |
| Authors of publication |
Chen, Ming; Li, Lingzhi; Nie, Han; Tong, Jiaqi; Yan, Lulin; Xu, Bin; Sun, Jing Zhi; Tian, Wenjing; Zhao, Zujin; Qin, Anjun; Tang, Ben Zhong |
| Journal of publication |
Chem. Sci. |
| Year of publication |
2015 |
| Journal volume |
6 |
| Journal issue |
3 |
| Pages of publication |
1932 |
| a |
11.1806 ± 0.0008 Å |
| b |
11.4458 ± 0.0007 Å |
| c |
12.861 ± 0.0009 Å |
| α |
101.527 ± 0.006° |
| β |
91.283 ± 0.006° |
| γ |
99.274 ± 0.006° |
| Cell volume |
1589.02 ± 0.19 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293.15 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.1027 |
| Residual factor for significantly intense reflections |
0.0565 |
| Weighted residual factors for significantly intense reflections |
0.1377 |
| Weighted residual factors for all reflections included in the refinement |
0.1674 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.01 |
| 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/1518411.html
