Information card for entry 7251704
| Formula |
C48 H66 F3 N6 O9 S |
| Calculated formula |
C48 H66 F3 N6 O9 S |
| Title of publication |
Guest-Induced Diverse Self-Assembles of an Oligopyrrole |
| Authors of publication |
Fang, Yicheng; Wei, Huiqi; Li, Caixia; Liu, Gen; Wang, Fan; Wu, Lamei; Huang, Zhengxi; Chen, Xi; Zhang, Zhan |
| Journal of publication |
CrystEngComm |
| Year of publication |
2026 |
| a |
15.482 ± 0.004 Å |
| b |
17.588 ± 0.004 Å |
| c |
23.232 ± 0.006 Å |
| α |
73.27 ± 0.011° |
| β |
74.936 ± 0.01° |
| γ |
77.737 ± 0.01° |
| Cell volume |
5785 ± 3 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 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 |
0.1186 |
| Residual factor for significantly intense reflections |
0.1011 |
| Weighted residual factors for significantly intense reflections |
0.2763 |
| Weighted residual factors for all reflections included in the refinement |
0.2904 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.11 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.34139 Å |
| Diffraction radiation type |
Synchrotron |
| Diffraction radiation X-ray symbol |
GaKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/7251704.html
