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Information card for entry 1564391
Preview
| Coordinates | 1564391.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268165 (current) | 2021-08-22 | cif/ Adding structures of 1564391 via cif-deposit CGI script. |
1564391.cif |
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Users of the data should acknowledge the original authors of the
structural data.