Information card for entry 1564391
| Formula |
C42 H52 O8 S2 |
| Calculated formula |
C42 H52 O8 S2 |
| Title of publication |
Trans/Cis-Stereoisomers of Triterpenoid-Substituted Tetraphenylethene: Aggregation-Induced Emission, Aggregate Morphology and Mechano-chromism |
| Authors of publication |
Yu, Xia; Meng, Yuzhang; Zhang, Hao; Guo, Junbo; Wang, Shixian; Li, Hui; Hu, Jun; Li, Min-Hui |
| Journal of publication |
Nanoscale |
| Year of publication |
2021 |
| a |
9.3338 ± 0.0001 Å |
| b |
13.3779 ± 0.0002 Å |
| c |
16.4362 ± 0.0002 Å |
| α |
79.162 ± 0.001° |
| β |
86.863 ± 0.001° |
| γ |
79.577 ± 0.001° |
| Cell volume |
1982.01 ± 0.04 Å3 |
| Cell temperature |
180 ± 0.1 K |
| Ambient diffraction temperature |
180 ± 0.1 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 |
0.0503 |
| Residual factor for significantly intense reflections |
0.0462 |
| Weighted residual factors for significantly intense reflections |
0.1296 |
| Weighted residual factors for all reflections included in the refinement |
0.1335 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.057 |
| Diffraction radiation probe |
x-ray |
| Diffraction radiation wavelength |
1.54184 Å |
| Diffraction radiation type |
CuKα |
| Has coordinates |
Yes |
| Has disorder |
Yes |
| Has Fobs |
No |
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https://www.crystallography.net/1564391.html
