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Information card for entry 7229147
Preview
| Coordinates | 7229147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H23 N |
|---|---|
| Calculated formula | C33 H23 N |
| SMILES | c1(c2ccc(cc2)C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc(C#N)ccc1 |
| Title of publication | Cyanobenzene-containing tetraphenylethene derivatives with aggregation-induced emission and self-recovering mechanofluorochromic characteristics |
| Authors of publication | Zhao, Fei; Fan, Congbin; Chen, Zhao; Liu, Gang; Pu, Shouzhi |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 69 |
| Pages of publication | 43845 |
| a | 10.5396 ± 0.0017 Å |
| b | 10.8992 ± 0.0017 Å |
| c | 11.6905 ± 0.0018 Å |
| α | 75.586 ± 0.002° |
| β | 72.924 ± 0.002° |
| γ | 75.975 ± 0.002° |
| Cell volume | 1222.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0649 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.104 |
| Weighted residual factors for all reflections included in the refinement | 0.1199 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.021 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7229147.cif |
| 200773 | 2017-09-12 | cif/ Adding structures of 7229146, 7229147 via cif-deposit CGI script. |
7229147.cif |
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Users of the data should acknowledge the original authors of the
structural data.