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Information card for entry 8106553
Preview
Coordinates | 8106553.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H17 F2 N5 O S |
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Calculated formula | C23 H17 F2 N5 O S |
Title of publication | Crystal structure of (E)-2-(5-(4-fluorophenyl)-3-(furan-2-yl)-4,5-dihydro-1H-pyrazol-1-yl)-5-((4-fluorophenyl)diazenyl)-4-methylthiazole, C23H17F2N5OS |
Authors of publication | El-Hiti, Gamal A.; Abdel-Wahab, Bakr F.; Hegazy, Amany S.; Kariuki, Benson M. |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2017 |
Journal volume | 232 |
Journal issue | 3 |
Pages of publication | 413 - 415 |
a | 5.2272 ± 0.0004 Å |
b | 26.7398 ± 0.0015 Å |
c | 15.2645 ± 0.001 Å |
α | 90° |
β | 97.726 ± 0.007° |
γ | 90° |
Cell volume | 2114.2 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
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 | 0.1016 |
Residual factor for significantly intense reflections | 0.0547 |
Weighted residual factors for significantly intense reflections | 0.1124 |
Weighted residual factors for all reflections included in the refinement | 0.1371 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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