Information card for entry 1553811
| Formula |
C60 H112 Cl10 N26 O28 Zn2 |
| Calculated formula |
C60 H78 Cl10 N26 O12 Zn2 |
| Title of publication |
Endo/exo binding of alkyl and aryl diammonium ions by cyclopentanocucurbit[6]uril |
| Authors of publication |
Qu, Yun-Xia; Lin, Rui-Lian; Zhang, Yun-Qian; Zhou, Kai-Zhi; Zhou, Qing-Di; Zhu, Qian-Jiang; Tao, Zhu; Ma, Pei-Hua; Liu, Jing-Xin; Wei, Gang |
| Journal of publication |
Organic Chemistry Frontiers |
| Year of publication |
2017 |
| Journal volume |
4 |
| Journal issue |
9 |
| Pages of publication |
1799 |
| a |
12.298 ± 0.003 Å |
| b |
12.903 ± 0.003 Å |
| c |
15.662 ± 0.003 Å |
| α |
75.259 ± 0.003° |
| β |
70.211 ± 0.003° |
| γ |
76.684 ± 0.003° |
| Cell volume |
2233 ± 0.9 Å3 |
| Cell temperature |
273 ± 2 K |
| Ambient diffraction temperature |
273 ± 2 K |
| Number of distinct elements |
6 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0667 |
| Residual factor for significantly intense reflections |
0.0576 |
| Weighted residual factors for significantly intense reflections |
0.1827 |
| Weighted residual factors for all reflections included in the refinement |
0.1918 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.007 |
| 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/1553811.html
