Information card for entry 7250639
| Formula |
C47 H59 N6 O4 |
| Calculated formula |
C47 H59 N6 O4 |
| 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 |
13.5541 ± 0.001 Å |
| b |
25.3522 ± 0.0019 Å |
| c |
15.2379 ± 0.0011 Å |
| α |
90° |
| β |
104.797 ± 0.003° |
| γ |
90° |
| Cell volume |
5062.5 ± 0.6 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
12 |
| Hermann-Mauguin space group symbol |
C 1 2/m 1 |
| Hall space group symbol |
-C 2y |
| Residual factor for all reflections |
0.0539 |
| Residual factor for significantly intense reflections |
0.0468 |
| Weighted residual factors for significantly intense reflections |
0.1474 |
| Weighted residual factors for all reflections included in the refinement |
0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.095 |
| 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/7250639.html
