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Information card for entry 8105928
Preview
Coordinates | 8105928.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H10 Cl F N2 O2 S2 |
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Calculated formula | C14 H10 Cl F N2 O2 S2 |
Title of publication | Synthesis and crystal structure of 7-chloro-2-(ethylsulfinyl)-6-fluoro-3-(1H-pyrazole-1-yl)-4H-thiochromen-4-one, C13H10FN3OS2 |
Authors of publication | Zhang, Yuming; Xiao, Tao; Guo, Xuan; Dou, Chaolong; Wu, Wenyuan |
Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
Year of publication | 2019 |
Journal volume | 234 |
Journal issue | 5 |
Pages of publication | 1033 - 1034 |
a | 15.07 ± 0.003 Å |
b | 4.905 ± 0.001 Å |
c | 21.018 ± 0.004 Å |
α | 90° |
β | 105.59 ± 0.03° |
γ | 90° |
Cell volume | 1496.5 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
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 | 0.1417 |
Residual factor for significantly intense reflections | 0.0667 |
Weighted residual factors for significantly intense reflections | 0.115 |
Weighted residual factors for all reflections included in the refinement | 0.1363 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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