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Information card for entry 7233293
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Coordinates | 7233293.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 H5 N2 O S2 |
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Calculated formula | C8 H5 N2 O S2 |
Title of publication | Structural elaboration of dicyanopyrazine: towards push‒pull molecules with tailored photoredox activity |
Authors of publication | Hloušková, Zuzana; Klikar, Milan; Pytela, Oldřich; Almonasy, Numan; Růžička, Aleš; Jandová, Veronika; Bureš, Filip |
Journal of publication | RSC Advances |
Year of publication | 2019 |
Journal volume | 9 |
Journal issue | 41 |
Pages of publication | 23797 |
a | 8.7934 ± 0.0012 Å |
b | 12.8464 ± 0.0014 Å |
c | 16.339 ± 0.002 Å |
α | 90° |
β | 101.394 ± 0.005° |
γ | 90° |
Cell volume | 1809.3 ± 0.4 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0592 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1211 |
Weighted residual factors for all reflections included in the refinement | 0.1302 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7233293.html
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