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Information card for entry 1568551
Preview
| Coordinates | 1568551.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H22 N O2 P S |
|---|---|
| Calculated formula | C25 H22 N O2 P S |
| SMILES | S(=O)(=O)(N=P(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(cc1)C |
| Title of publication | Facile modification of phosphole-based aggregation-induced emission luminogens with sulfonyl isocyanates |
| Authors of publication | König, Nils; Godínez-Loyola, Yokari; Yang, Fangshun; Laube, Christian; Laue, Michael; Lönnecke, Peter; Strassert, Cristian A.; Hey-Hawkins, Evamarie |
| Journal of publication | Chemical Science |
| Year of publication | 2023 |
| Journal volume | 14 |
| Journal issue | 9 |
| Pages of publication | 2267 - 2274 |
| a | 8.8731 ± 0.0003 Å |
| b | 10.5634 ± 0.0003 Å |
| c | 12.9478 ± 0.0004 Å |
| α | 106.562 ± 0.002° |
| β | 99.86 ± 0.002° |
| γ | 107.702 ± 0.003° |
| Cell volume | 1063.05 ± 0.07 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0466 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for significantly intense reflections | 0.0935 |
| Weighted residual factors for all reflections included in the refinement | 0.0991 |
| 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 |
|---|---|---|---|
| 281227 (current) | 2023-03-02 | cif/ Adding structures of 1568547, 1568548, 1568549, 1568550, 1568551, 1568552, 1568553, 1568554, 1568555 via cif-deposit CGI script. |
1568551.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.