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Information card for entry 7231893
Preview
| Coordinates | 7231893.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H19 N3 O2 S |
|---|---|
| Calculated formula | C27 H19 N3 O2 S |
| Title of publication | White-light generation from all-solution-processed OLEDs using a benzothiazole-salophen derivative reactive to the ESIPT process. |
| Authors of publication | Duarte, Luís Gustavo Teixeira Alves; Germino, José Carlos; Berbigier, Jônatas Faleiro; Barboza, Cristina Aparecida; Faleiros, Marcelo Meira; de Alencar Simoni, Deborah; Galante, Miguel Tayar; de Holanda, Matheus Serra; Rodembusch, Fabiano Severo; Atvars, Teresa Dib Zambon |
| Journal of publication | Physical chemistry chemical physics : PCCP |
| Year of publication | 2019 |
| Journal volume | 21 |
| Journal issue | 3 |
| Pages of publication | 1172 - 1182 |
| a | 12.7652 ± 0.0005 Å |
| b | 6.1962 ± 0.0002 Å |
| c | 26.7849 ± 0.0009 Å |
| α | 90° |
| β | 91.423 ± 0.002° |
| γ | 90° |
| Cell volume | 2117.92 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0548 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1083 |
| Weighted residual factors for all reflections included in the refinement | 0.1154 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 225333 (current) | 2019-11-08 | cif/ Updating files of 7231893 Original log message: Adding full bibliography for 7231893.cif. |
7231893.cif |
| 212216 | 2018-11-28 | cif/ Adding structures of 7231893 via cif-deposit CGI script. |
7231893.cif |
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Users of the data should acknowledge the original authors of the
structural data.