Information card for entry 1570882
| Formula |
C52 H51 I O2 |
| Calculated formula |
C51.944 H50.832 I0.944 O2 |
| Title of publication |
Controllable π-π coupling of intramolecular dimer models in aggregated states. |
| Authors of publication |
Liao, Qiuyan; Li, Aisen; Huang, Arui; Wang, Jiaqiang; Chang, Kai; Li, Hehua; Yao, Pengfei; Zhong, Cheng; Xie, Peidong; Wang, Jinfeng; Li, Zhen; Li, Qianqian |
| Journal of publication |
Chemical science |
| Year of publication |
2024 |
| Journal volume |
15 |
| Journal issue |
12 |
| Pages of publication |
4364 - 4373 |
| a |
13.074 ± 0.004 Å |
| b |
13.147 ± 0.004 Å |
| c |
14.493 ± 0.005 Å |
| α |
69.147 ± 0.007° |
| β |
66.505 ± 0.007° |
| γ |
89.161 ± 0.008° |
| Cell volume |
2111.3 ± 1.2 Å3 |
| Cell temperature |
296.15 K |
| Ambient diffraction temperature |
296.15 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 |
0.1159 |
| Residual factor for significantly intense reflections |
0.0845 |
| Weighted residual factors for significantly intense reflections |
0.2268 |
| Weighted residual factors for all reflections included in the refinement |
0.2664 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.078 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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The link is:
https://www.crystallography.net/1570882.html
