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Information card for entry 7156718
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Coordinates | 7156718.cif |
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Original paper (by DOI) | HTML |
Chemical name | 5-(3,4-dimethoxybenzyl)-2-((2-oxo-2-phenylethyl)thio)-3-phenyl-3,5-dihydro-4H-imidazol-4-one |
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Formula | C26 H24 N2 O4 S |
Calculated formula | C26 H24 N2 O4 S |
Title of publication | One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones. |
Authors of publication | Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming |
Journal of publication | Organic & biomolecular chemistry |
Year of publication | 2019 |
Journal volume | 17 |
Journal issue | 11 |
Pages of publication | 3040 - 3047 |
a | 14.9997 ± 0.0015 Å |
b | 8.0616 ± 0.0007 Å |
c | 20.034 ± 0.002 Å |
α | 90° |
β | 107.259 ± 0.004° |
γ | 90° |
Cell volume | 2313.5 ± 0.4 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 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 | 0.0986 |
Residual factor for significantly intense reflections | 0.076 |
Weighted residual factors for significantly intense reflections | 0.1852 |
Weighted residual factors for all reflections included in the refinement | 0.2052 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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