Information card for entry 7245808
| Formula |
C42 H92 Ca Cl3 N25 O35 |
| Calculated formula |
C42 H60 Ca Cl3 N25 O19 |
| Title of publication |
Host-guest inclusion complexes formed between a symmetrical tetrasubstituted cucurbit[6]uril and glycine |
| Authors of publication |
Yuan, Shang-Wei; Shan, Pei-Hui; Yang, Mao Xia; Ma, PeiHua; Prior, Timothy J.; Redshaw, Carl; Wei, Gang; Tao, Zhu; Xiao, Xin |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
13.001 ± 0.004 Å |
| b |
14.691 ± 0.004 Å |
| c |
21.03 ± 0.006 Å |
| α |
72.765 ± 0.007° |
| β |
76.725 ± 0.007° |
| γ |
68.8 ± 0.007° |
| Cell volume |
3542.7 ± 1.8 Å3 |
| Cell temperature |
296.15 K |
| Ambient diffraction temperature |
296.15 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 |
0.0983 |
| Residual factor for significantly intense reflections |
0.0698 |
| Weighted residual factors for significantly intense reflections |
0.1809 |
| Weighted residual factors for all reflections included in the refinement |
0.1972 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.04 |
| 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/7245808.html
