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Information card for entry 7245378
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Coordinates | 7245378.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | (<i>E</i>)-3-(2,6-dichlorophenyl)-1-(2,5-dichlorothiophen-3-yl)prop-2-en-1-one |
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Formula | C13 H6 Cl4 O S |
Calculated formula | C13 H6 Cl4 O S |
Title of publication | A Comprehensive Study on the Photophysical and Non-Linear Optical Properties of Thienyl-Chalcone Derivatives. |
Authors of publication | Wong, Qin Ai; Quah, Ching Kheng; Wong, Xin Ai; Win, Yip-Foo; Kwong, Huey Chong; Patil, Parutagouda Shankaragouda; Gummagol, Neelamma B.; Soma, Venugopal Rao |
Journal of publication | Physical Chemistry Chemical Physics |
Year of publication | 2022 |
a | 3.8532 ± 0.0007 Å |
b | 14.632 ± 0.003 Å |
c | 24.278 ± 0.005 Å |
α | 90° |
β | 93.236 ± 0.003° |
γ | 90° |
Cell volume | 1366.6 ± 0.5 Å3 |
Cell temperature | 296 K |
Ambient diffraction temperature | 296 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 | 0.0679 |
Residual factor for significantly intense reflections | 0.0501 |
Weighted residual factors for significantly intense reflections | 0.1077 |
Weighted residual factors for all reflections included in the refinement | 0.1154 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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