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Information card for entry 7240294
Preview
| Coordinates | 7240294.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 180618a |
|---|---|
| Formula | C30 H22 N2 O2 |
| Calculated formula | C30 H22 N2 O2 |
| SMILES | c1c(C(=C(c2ccc(cc2)C#N)c2ccc(cc2)C#N)c2ccc(cc2)OC)ccc(c1)OC |
| Title of publication | Tuning the fluorescence based on the combination of TICT and AIE emission of a tetraphenylethylene with D–π–A structure |
| Authors of publication | Zhang, Mengxing; Li, Jiale; Yu, Lirong; Wang, Xi; Bai, Ming |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 25 |
| Pages of publication | 14520 - 14524 |
| a | 9.6368 ± 0.0013 Å |
| b | 15.6248 ± 0.0016 Å |
| c | 16.1815 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2436.5 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1773 |
| Residual factor for significantly intense reflections | 0.126 |
| Weighted residual factors for significantly intense reflections | 0.3479 |
| Weighted residual factors for all reflections included in the refinement | 0.4183 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.372 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240294.cif |
| 258068 | 2020-10-06 | cif/ Updating files of 7240294 Original log message: Adding full bibliography for 7240294.cif. |
7240294.cif |
| 250585 | 2020-04-10 | cif/ Adding structures of 7240294 via cif-deposit CGI script. |
7240294.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.