Information card for entry 1562691
| Formula |
C100 H65 Br6 N12 O15 |
| Calculated formula |
C100 H65 Br6 N12 O15 |
| 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 |
18.8016 ± 0.0017 Å |
| b |
21.9859 ± 0.0017 Å |
| c |
28.453 ± 0.002 Å |
| α |
90° |
| β |
108.666 ± 0.006° |
| γ |
90° |
| Cell volume |
11143 ± 1.6 Å3 |
| Cell temperature |
170 ± 2 K |
| Ambient diffraction temperature |
170 K |
| Number of distinct elements |
5 |
| Space group number |
5 |
| Hermann-Mauguin space group symbol |
C 1 2 1 |
| Hall space group symbol |
C 2y |
| Residual factor for all reflections |
0.2889 |
| Residual factor for significantly intense reflections |
0.1777 |
| Weighted residual factors for significantly intense reflections |
0.3724 |
| Weighted residual factors for all reflections included in the refinement |
0.4512 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.044 |
| 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/1562691.html
