Information card for entry 7238645
| Formula |
C100 H188 Ca4 N48 O78 |
| Calculated formula |
C100 H120 Ca4 N48 O78 |
| Title of publication |
Ionic radius-dependent self-assembly of closed/opened molecular capsules based on pentacyclopentanocucurbit[5]uril |
| Authors of publication |
Hu, Ying-Feng; Chen, Kai; Lin, Rui-Lian; Sun, Wen-Qi; Zhu, Jing; Liu, Jing-Xin; Xue, Sai-Feng; Zhu, Qian-Jiang; Tao, Zhu |
| Journal of publication |
RSC Advances |
| Year of publication |
2012 |
| Journal volume |
2 |
| Journal issue |
13 |
| Pages of publication |
5663 |
| a |
12.7739 ± 0.0004 Å |
| b |
15.246 ± 0.0005 Å |
| c |
19.3151 ± 0.0006 Å |
| α |
82.978 ± 0.001° |
| β |
84.402 ± 0.001° |
| γ |
71.136 ± 0.001° |
| Cell volume |
3526.1 ± 0.2 Å3 |
| Cell temperature |
223 ± 2 K |
| Ambient diffraction temperature |
223 ± 2 K |
| Number of distinct elements |
5 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0756 |
| Residual factor for significantly intense reflections |
0.0571 |
| Weighted residual factors for significantly intense reflections |
0.1553 |
| Weighted residual factors for all reflections included in the refinement |
0.1724 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.025 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7238645.html
