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Information card for entry 7229146
Preview
| Coordinates | 7229146.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C33 H23 N |
|---|---|
| Calculated formula | C33 H23 N |
| SMILES | c1(ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1)c1ccccc1C#N |
| 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 | 10.6406 ± 0.0019 Å |
| b | 14.908 ± 0.003 Å |
| c | 15.474 ± 0.003 Å |
| α | 90° |
| β | 94.207 ± 0.002° |
| γ | 90° |
| Cell volume | 2448 ± 0.8 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.1065 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1523 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.011 |
| 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. |
7229146.cif |
| 200773 | 2017-09-12 | cif/ Adding structures of 7229146, 7229147 via cif-deposit CGI script. |
7229146.cif |
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Users of the data should acknowledge the original authors of the
structural data.