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Information card for entry 2021709
Preview
| Coordinates | 2021709.cif |
|---|---|
| Structure factors | 2021709.hkl |
| Original IUCr paper | HTML |
| Chemical name | 4-Methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide |
|---|---|
| Formula | C33 H27 N O2 S |
| Calculated formula | C33 H27 N O2 S |
| SMILES | S(=O)(=O)(Nc1cc(ccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1)c1ccc(C)cc1 |
| Title of publication | A novel tetraphenylethylene derivative: 4-methyl-<i>N</i>-[3-(1,2,2-triphenylethenyl)phenyl]benzenesulfonamide with aggregation-induced emission |
| Authors of publication | Jia, Lei; Zhang, Jun; Du, Lin |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 8 |
| a | 16.4855 ± 0.0004 Å |
| b | 9.2994 ± 0.0003 Å |
| c | 19.0422 ± 0.0005 Å |
| α | 90° |
| β | 113.403 ± 0.001° |
| γ | 90° |
| Cell volume | 2679.11 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 5 |
| 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 | 0.0925 |
| Residual factor for significantly intense reflections | 0.0512 |
| Weighted residual factors for significantly intense reflections | 0.0969 |
| Weighted residual factors for all reflections included in the refinement | 0.1173 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.071 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 216792 (current) | 2019-07-06 | cif/ hkl/ Adding structures of 2021709 via cif-deposit CGI script. |
2021709.cif 2021709.hkl |
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Users of the data should acknowledge the original authors of the
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