Information card for entry 1562688
| Formula |
C90 H54 Br2 I6 N12 O12 |
| Calculated formula |
C90 H54 Br2 I6 N12 O12 |
| Title of publication |
A water-soluble naphthalenediimide-containing hexacationic cage. |
| Authors of publication |
Fang, Shuai; Li, Errui; Zhu, Dingsheng; Wu, Guangcheng; Zhang, Qinhao; Lin, Chuhao; Huang, Feihe; Li, Hao |
| Journal of publication |
Chemical communications (Cambridge, England) |
| Year of publication |
2021 |
| Journal volume |
57 |
| Journal issue |
49 |
| Pages of publication |
6074 - 6077 |
| a |
12.1313 ± 0.0008 Å |
| b |
23.4871 ± 0.0017 Å |
| c |
31.769 ± 0.002 Å |
| α |
90° |
| β |
99.44 ± 0.004° |
| γ |
90° |
| Cell volume |
8929.3 ± 1 Å3 |
| Cell temperature |
173 ± 2 K |
| Ambient diffraction temperature |
172.99 K |
| Number of distinct elements |
6 |
| Space group number |
14 |
| Hermann-Mauguin space group symbol |
P 1 21/n 1 |
| Hall space group symbol |
-P 2yn |
| Residual factor for all reflections |
0.2937 |
| Residual factor for significantly intense reflections |
0.1652 |
| Weighted residual factors for significantly intense reflections |
0.3397 |
| Weighted residual factors for all reflections included in the refinement |
0.3825 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.649 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1562688.html
