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Information card for entry 1554718
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Coordinates | 1554718.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C12 H5 F N2 S2 |
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Calculated formula | C12 H5 F N2 S2 |
Title of publication | Synthesis, characterization and crystal structures of novel fluorinated di(thiazolyl)benzene derivatives |
Authors of publication | BarÅ‚óg, Maciej; Kulai, Ihor; Ji, Xiaozhou; Bhuvanesh, Nattamai; Dey, Somnath; Sliwinski, Eric Pierre; Bazzi, Hassan S.; Fang, Lei; Al-Hashimi, Mohammed |
Journal of publication | Organic Chemistry Frontiers |
Year of publication | 2019 |
Journal volume | 6 |
Journal issue | 6 |
Pages of publication | 780 |
a | 3.8093 ± 0.0003 Å |
b | 6.6644 ± 0.0004 Å |
c | 21.5126 ± 0.0015 Å |
α | 90° |
β | 94.338 ± 0.004° |
γ | 90° |
Cell volume | 544.57 ± 0.07 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 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 | 0.0979 |
Residual factor for significantly intense reflections | 0.0846 |
Weighted residual factors for significantly intense reflections | 0.1564 |
Weighted residual factors for all reflections included in the refinement | 0.1609 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.314 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/1554718.html
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