Information card for entry 4029188
| Formula |
C66 H46 N4 O4 |
| Calculated formula |
C66 H46 N4 O4 |
| SMILES |
c1c2C(=C(c3ccccc3)c3ccccc3)c3ccc(Oc4nc(Oc5ccc(C(=C(c6ccccc6)c6ccccc6)c6ccc(Oc7nc(Oc(cc2)c1)cnc7)cc6)cc5)cnc4)cc3.c1ccccc1 |
| Title of publication |
Tetraphenylethylene-based expanded oxacalixarene: synthesis, structure, and its supramolecular grid assemblies directed by guests in the solid state. |
| Authors of publication |
Zhang, Chun; Wang, Zhen; Song, Song; Meng, Xianggao; Zheng, Yan-Song; Yang, Xiang-Liang; Xu, Hui-Bi |
| Journal of publication |
The Journal of organic chemistry |
| Year of publication |
2014 |
| Journal volume |
79 |
| Journal issue |
6 |
| Pages of publication |
2729 - 2732 |
| a |
12.024 ± 0.003 Å |
| b |
12.744 ± 0.003 Å |
| c |
18.613 ± 0.005 Å |
| α |
97.529 ± 0.004° |
| β |
98.367 ± 0.004° |
| γ |
115.203 ± 0.003° |
| Cell volume |
2493.1 ± 1.1 Å3 |
| Cell temperature |
100 ± 2 K |
| Ambient diffraction temperature |
100 ± 2 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 |
0.1294 |
| Residual factor for significantly intense reflections |
0.0554 |
| Weighted residual factors for significantly intense reflections |
0.1236 |
| Weighted residual factors for all reflections included in the refinement |
0.1611 |
| Goodness-of-fit parameter for all reflections included in the refinement |
0.971 |
| 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/4029188.html
