Information card for entry 1557816
| Formula |
C81 H68 N4 O9 |
| Calculated formula |
C81 H68 N4 O9 |
| SMILES |
O(c1ccc(N(c2cc3c(Oc4c(C53c3cc(N(c6ccc(OC)cc6)c6ccc(OC)cc6)ccc3c3c5cc(N(c5ccc(OC)cc5)c5ccc(OC)cc5)cc3)cc(N(c3ccc(OC)cc3)c3ccc(OC)cc3)cc4)cc2)c2ccc(OC)cc2)cc1)C |
| Title of publication |
Enhanced emission in organic nanocrystals via asymmetrical design of spirocyclic aromatic hydrocarbons. |
| Authors of publication |
Li, Yin-Xiang; Dong, Xue-Mei; Yu, Meng-Na; Liu, Wei; Nie, Yi-Jie; Eginligil, Mustafa; Liu, Ju-Qing; Jiang, Wen-Jie; Wang, Xiao-Jing; Xu, Chun-Xiang; Xie, Ling-Hai; Huang, Wei |
| Journal of publication |
Nanoscale |
| Year of publication |
2020 |
| Journal volume |
12 |
| Journal issue |
18 |
| Pages of publication |
9964 - 9968 |
| a |
10.556 ± 0.002 Å |
| b |
16.36 ± 0.003 Å |
| c |
20.984 ± 0.003 Å |
| α |
68.742 ± 0.012° |
| β |
80.019 ± 0.013° |
| γ |
71.824 ± 0.014° |
| Cell volume |
3201.3 ± 1 Å3 |
| Cell temperature |
173 K |
| Ambient diffraction temperature |
173 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 |
0.1074 |
| Residual factor for significantly intense reflections |
0.0917 |
| Weighted residual factors for significantly intense reflections |
0.1725 |
| Weighted residual factors for all reflections included in the refinement |
0.1796 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.19 |
| Diffraction radiation wavelength |
1.54178 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1557816.html
