Information card for entry 7250645
| Formula |
C94 H118 Cl8 N10 O10 |
| Calculated formula |
C94 H118 Cl8 N10 O10 |
| Title of publication |
A self-assembled supramolecular capsule that cocrystallizes with 1,4-disubstituted benzene derivatives |
| Authors of publication |
Wu, Yingcong; Ma, Wanzun; Wei, Dehui; Liu, Gen; Wei, Huiqi; Zhao, Xinyun; Wu, Lamei; Huang, Zhengxi; Zhang, Zhan |
| Journal of publication |
CrystEngComm |
| Year of publication |
2025 |
| Journal volume |
27 |
| Journal issue |
15 |
| Pages of publication |
2287 - 2291 |
| a |
15.361 ± 0.002 Å |
| b |
17.925 ± 0.003 Å |
| c |
19.975 ± 0.003 Å |
| α |
103.894 ± 0.005° |
| β |
91.039 ± 0.005° |
| γ |
114.731 ± 0.005° |
| Cell volume |
4805.4 ± 1.3 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 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 |
0.0873 |
| Residual factor for significantly intense reflections |
0.0652 |
| Weighted residual factors for significantly intense reflections |
0.1855 |
| Weighted residual factors for all reflections included in the refinement |
0.1977 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.082 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/7250645.html
