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Information card for entry 7234408
Preview
| Coordinates | 7234408.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H49 N O6 S3 |
|---|---|
| Calculated formula | C46 H49 N O6 S3 |
| Title of publication | Rational design of phenothiazine (PTz) and ethylenedioxythiophene (EDOT) based donor-acceptor compounds with a molecular aggregation breaker for solid state emission in red and NIR regions |
| Authors of publication | Elumalai Ramachandran; Raghavachari Dhamodharan |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 8642 - 8648 |
| a | 5.3262 ± 0.0003 Å |
| b | 13.177 ± 0.0009 Å |
| c | 34.47 ± 0.002 Å |
| α | 100.032 ± 0.003° |
| β | 92.318 ± 0.002° |
| γ | 95.724 ± 0.003° |
| Cell volume | 2366.2 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1416 |
| Residual factor for significantly intense reflections | 0.0793 |
| Weighted residual factors for significantly intense reflections | 0.2482 |
| Weighted residual factors for all reflections included in the refinement | 0.2921 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 219122 (current) | 2019-10-07 | cif/ Adding structures of 7234408 via cif-deposit CGI script. |
7234408.cif |
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Users of the data should acknowledge the original authors of the
structural data.