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Information card for entry 2108959
Preview
Coordinates | 2108959.cif |
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Structure factors | 2108959.hkl |
Original paper (by DOI) | HTML |
Formula | C24 H14 N4 O2 S |
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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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2108959.html
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