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Information card for entry 2010236
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| Coordinates | 2010236.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | C26 H26 O4 S2 |
|---|---|
| Calculated formula | C26 H26 O4 S2 |
| SMILES | CCOC(=O)c1ccccc1SCc1cccc(c1)CSc1ccccc1C(=O)OCC |
| Title of publication | Diethyl 2,2'-[1,3-phenylenebis(methylthio)]dibenzoate |
| Authors of publication | Sillanpää, Reijo; Kivekäs, Raikko; Escriche, Lluis; Lucena, Natividad; Teixidor, Francesc; Casabó, Jaume |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1994 |
| Journal volume | 50 |
| Journal issue | 12 |
| Pages of publication | 2049 - 2051 |
| a | 14.502 ± 0.002 Å |
| b | 10.904 ± 0.003 Å |
| c | 14.503 ± 0.002 Å |
| α | 90° |
| β | 90.34 ± 0.01° |
| γ | 90° |
| Cell volume | 2293.3 ± 0.8 Å3 |
| Cell temperature | 296 K |
| Number of distinct elements | 4 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.056 |
| Goodness-of-fit parameter for significantly intense reflections | 1.78 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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Users of the data should acknowledge the original authors of the
structural data.