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Information card for entry 1568547
Preview
| Coordinates | 1568547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H13 Cl N O2 P S |
|---|---|
| Calculated formula | C18 H13 Cl N O2 P S |
| 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 | 9.2183 ± 0.0001 Å |
| b | 34.7939 ± 0.0004 Å |
| c | 10.2564 ± 0.0001 Å |
| α | 90° |
| β | 91.784 ± 0.001° |
| γ | 90° |
| Cell volume | 3288.05 ± 0.06 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0408 |
| Weighted residual factors for significantly intense reflections | 0.1036 |
| Weighted residual factors for all reflections included in the refinement | 0.1092 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| 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. |
1568547.cif |
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Users of the data should acknowledge the original authors of the
structural data.