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Information card for entry 7058829
Preview
| Coordinates | 7058829.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C41 H33 N S |
|---|---|
| Calculated formula | C41 H33 N S |
| Title of publication | Reversible mechanochromism and aggregation induced enhanced emission in phenothiazine substituted tetraphenylethylene |
| Authors of publication | Khan, Faizal; Ekbote, Anupama; Misra, Rajneesh |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2019 |
| Journal volume | 43 |
| Journal issue | 41 |
| Pages of publication | 16156 |
| a | 19.1422 ± 0.0013 Å |
| b | 8.1961 ± 0.0005 Å |
| c | 19.5225 ± 0.0014 Å |
| α | 90° |
| β | 95.423 ± 0.002° |
| γ | 90° |
| Cell volume | 3049.2 ± 0.4 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1224 |
| Residual factor for significantly intense reflections | 0.0651 |
| Weighted residual factors for significantly intense reflections | 0.1057 |
| Weighted residual factors for all reflections included in the refinement | 0.122 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.033 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301851 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/05/ Each referenced PubChem compound corresponds to the full crystal structure. |
7058829.cif |
| 224724 | 2019-11-08 | cif/ Updating files of 7058829 Original log message: Adding full bibliography for 7058829.cif. |
7058829.cif |
| 218333 | 2019-09-17 | cif/ Adding structures of 7058829 via cif-deposit CGI script. |
7058829.cif |
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Users of the data should acknowledge the original authors of the
structural data.