Information card for entry 7251702
| Formula |
C131 H180 Br F6 N18 O18 S2 |
| Calculated formula |
C131 H180 Br F6 N18 O18 S2 |
| 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 |
19.2799 ± 0.0014 Å |
| b |
21.1893 ± 0.0016 Å |
| c |
24.3397 ± 0.0017 Å |
| α |
94.007 ± 0.004° |
| β |
95.264 ± 0.003° |
| γ |
110.225 ± 0.003° |
| Cell volume |
9235.9 ± 1.2 Å3 |
| Cell temperature |
200 ± 2 K |
| Ambient diffraction temperature |
200 ± 2 K |
| Number of distinct elements |
7 |
| Space group number |
2 |
| Hermann-Mauguin space group symbol |
P -1 |
| Hall space group symbol |
-P 1 |
| Residual factor for all reflections |
0.108 |
| Residual factor for significantly intense reflections |
0.0791 |
| Weighted residual factors for significantly intense reflections |
0.2442 |
| Weighted residual factors for all reflections included in the refinement |
0.2649 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.071 |
| 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/7251702.html
