Information card for entry 7250642
| Formula |
C49 H69 N5 O6 |
| Calculated formula |
C49 H69 N5 O6 |
| 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 |
12.1297 ± 0.0006 Å |
| b |
14.6354 ± 0.0007 Å |
| c |
15.2121 ± 0.0007 Å |
| α |
104.844 ± 0.001° |
| β |
113.237 ± 0.001° |
| γ |
90.513 ± 0.002° |
| Cell volume |
2380.1 ± 0.2 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.0562 |
| Residual factor for significantly intense reflections |
0.0515 |
| Weighted residual factors for significantly intense reflections |
0.1409 |
| Weighted residual factors for all reflections included in the refinement |
0.1458 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.045 |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7250642.html
