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Information card for entry 2108959
Preview
| Coordinates | 2108959.cif |
|---|---|
| Structure factors | 2108959.hkl |
| Original paper (by DOI) | HTML |
| Formula | C24 H14 N4 O2 S |
|---|---|
| Calculated formula | C24 H14 N4 O2 S |
| Title of publication | A new linear phenyloxazole–benzothiadiazole luminophore: crystal growth, structure and fluorescence properties |
| Authors of publication | Postnikov, Valery A.; Sorokina, Natalia I.; Kulishov, Artem A.; Lyasnikova, Maria S.; Sorokin, Timofei A.; Freidzon, Alexandra Ya.; Stepko, Anastasia S.; Borshchev, Oleg V.; Skorotetsky, Maxim S.; Surin, Nikolay M.; Svidchenko, Evgeniya A.; Ponomarenko, Sergey A. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2022 |
| Journal volume | 78 |
| Journal issue | 2 |
| Pages of publication | 261 - 269 |
| a | 20.7891 ± 0.0016 Å |
| b | 3.8267 ± 0.0002 Å |
| c | 25.145 ± 0.002 Å |
| α | 90 ± 0.005° |
| β | 111.747 ± 0.007° |
| γ | 90 ± 0.005° |
| Cell volume | 1858 ± 0.2 Å3 |
| Cell temperature | 295 ± 0.1 K |
| Ambient diffraction temperature | 295 K |
| Number of distinct elements | 5 |
| 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 | 0.0936 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0364 |
| Weighted residual factors for all reflections included in the refinement | 0.0417 |
| Goodness-of-fit parameter for significantly intense reflections | 1.64 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.23 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 274414 (current) | 2022-04-07 | cif/ hkl/ Adding structures of 2108958, 2108959 via cif-deposit CGI script. |
2108959.cif 2108959.hkl |
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Users of the data should acknowledge the original authors of the
structural data.