Information card for entry 1555429
| Formula |
C82 H54 N4 |
| Calculated formula |
C82 H54 N4 |
| SMILES |
c1ccccc1C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)c1n(c2ccccc2)c2c(n1)c1cccc3c4n(c(nc4c4cccc2c4c13)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1 |
| Title of publication |
Isomers of Pyrene-Imidazole Compounds: Synthesis and Configuration Effect on Optical Properties. |
| Authors of publication |
Liu, Yulong; Shan, Tong; Yao, Liang; Bai, Qing; Guo, Yachen; Li, Jinyu; Han, Xiao; Li, Weijun; Wang, Zhiming; Yang, Bing; Lu, Ping; Ma, Yuguang |
| Journal of publication |
Organic letters |
| Year of publication |
2015 |
| Journal volume |
17 |
| Journal issue |
24 |
| Pages of publication |
6138 - 6141 |
| a |
10.1789 ± 0.0004 Å |
| b |
11.9937 ± 0.0005 Å |
| c |
13.2135 ± 0.0005 Å |
| α |
108.6 ± 0.001° |
| β |
95.189 ± 0.001° |
| γ |
102.354 ± 0.001° |
| Cell volume |
1471.38 ± 0.1 Å3 |
| Cell temperature |
296 ± 2 K |
| Ambient diffraction temperature |
296 ± 2 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 |
0.0723 |
| Residual factor for significantly intense reflections |
0.048 |
| Weighted residual factors for significantly intense reflections |
0.1244 |
| Weighted residual factors for all reflections included in the refinement |
0.1416 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.018 |
| 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/1555429.html
