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Information card for entry 8107716
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| Coordinates | 8107716.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one |
|---|---|
| Formula | C21 H18 O4 S2 |
| Calculated formula | C21 H18 O4 S2 |
| SMILES | s1cccc1C(=O)/C(=C\c1ccc(OC)cc1)S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Crystal structure of (E)-3-(4-methoxyphenyl)-1-(thiophen-2-yl)-2- tosylprop-2-en-1-one, C21H18O4S2 |
| Authors of publication | Abdel-Aziz, Hatem A.; Ghabbour, Hazem A.; Fun, Hoong-Kun |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2015 |
| Journal volume | 230 |
| Journal issue | 2 |
| Pages of publication | 61 - 62 |
| a | 8.2038 ± 0.0003 Å |
| b | 19.881 ± 0.0007 Å |
| c | 24.0661 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3925.2 ± 0.2 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for significantly intense reflections | 0.049 |
| Weighted residual factors for significantly intense reflections | 0.1426 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288212 (current) | 2023-12-11 | cif/ Adding structures of 8107716 via cif-deposit CGI script. |
8107716.cif |
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