Information card for entry 7058783
| Formula |
C58 H72 N28 O12 |
| Calculated formula |
C58 H72 N28 O12 |
| Title of publication |
Study of the host‒guest interaction between N,N′-bis[4-(dimethylaminophenyl)methyl]butane-1,4-diamine and the cucuribit[n]urils (n = 6, 7) |
| Authors of publication |
Xiao, Zhiyou; Zhou, Yang; Xu, Weitao; Prior, Timothy J.; Bian, Bing; Redshaw, Carl; Tao, Zhu; Xiao, Xin |
| Journal of publication |
New Journal of Chemistry |
| Year of publication |
2019 |
| Journal volume |
43 |
| Journal issue |
37 |
| Pages of publication |
14938 |
| a |
13.244 ± 0.005 Å |
| b |
20.552 ± 0.005 Å |
| c |
25.657 ± 0.005 Å |
| α |
90° |
| β |
94.232 ± 0.013° |
| γ |
90° |
| Cell volume |
6965 ± 3 Å3 |
| Cell temperature |
293 ± 2 K |
| Ambient diffraction temperature |
293 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
I 1 2/a 1 |
| Hall space group symbol |
-I 2ya |
| Residual factor for all reflections |
0.1058 |
| Residual factor for significantly intense reflections |
0.065 |
| Weighted residual factors for significantly intense reflections |
0.1784 |
| Weighted residual factors for all reflections included in the refinement |
0.1983 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.064 |
| 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/7058783.html
