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Information card for entry 4037609
Preview
| Coordinates | 4037609.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 N2 S |
|---|---|
| Calculated formula | C24 H22 N2 S |
| SMILES | s1c(c2cc(N3CCCCC3)c(c3c2c2ccccc2CC3)C#N)ccc1 |
| Title of publication | Synthesis of fluorescent C2-bridged teraryls and quateraryls for blue, sky-blue, and green color light-emitting devices. |
| Authors of publication | Goel, Atul; Sharma, Ashutosh; Rawat, Madhu; Anand, R. S.; Kant, Ruchir |
| Journal of publication | The Journal of organic chemistry |
| Year of publication | 2014 |
| Journal volume | 79 |
| Journal issue | 22 |
| Pages of publication | 10873 - 10880 |
| a | 11.096 ± 0.003 Å |
| b | 11.096 ± 0.003 Å |
| c | 31.919 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3929.9 ± 1.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.0398 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0807 |
| Weighted residual factors for all reflections included in the refinement | 0.0833 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243448 (current) | 2019-11-26 | cif/ Adding structures of 4037609 via cif-deposit CGI script. |
4037609.cif |
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Users of the data should acknowledge the original authors of the
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