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Information card for entry 7240975
Preview
| Coordinates | 7240975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H15 N3 |
|---|---|
| Calculated formula | C23 H15 N3 |
| SMILES | n1(c2ccc(cc2)C(=C(C#N)C#N)C)c2ccccc2c2c1cccc2 |
| Title of publication | Multicolored fluorescence variation of a new carbazole-based AIEE molecule by external stimuli. |
| Authors of publication | Liu, Yan; Li, Aisen; Ma, Zhimin; Xu, Weiqing; Ma, Zhiyong; Jia, Xinru |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2020 |
| Journal volume | 22 |
| Journal issue | 34 |
| Pages of publication | 19195 - 19201 |
| a | 8.4001 ± 0.0004 Å |
| b | 27.6987 ± 0.0014 Å |
| c | 7.49 ± 0.0004 Å |
| α | 90° |
| β | 99.621 ± 0.002° |
| γ | 90° |
| Cell volume | 1718.2 ± 0.15 Å3 |
| Cell temperature | 283 ± 2 K |
| Ambient diffraction temperature | 283 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0851 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.158 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.065 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
7240975.cif |
| 258989 | 2020-11-06 | cif/ Updating files of 7240975 Original log message: Adding full bibliography for 7240975.cif. |
7240975.cif |
| 254786 | 2020-08-04 | cif/ Adding structures of 7240975 via cif-deposit CGI script. |
7240975.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.