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Information card for entry 1558910
Preview
| Coordinates | 1558910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 5-Benzylidene-3,4-dichlorothiophen-2(5H)-one |
|---|---|
| Formula | C11 H6 Cl2 O S |
| Calculated formula | C11 Cl2 O S |
| SMILES | ClC1=C(Cl)/C(=C/c2ccccc2)SC1=O |
| Title of publication | Chlorinated Thiophenes. I. Reactions of Trichloro-2-thienylcarbinols |
| Authors of publication | Skramstad, Jan; Froyen, Paul |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1993 |
| Journal volume | 47 |
| Pages of publication | 131 - 137 |
| a | 7.036 ± 0.002 Å |
| b | 11.56 ± 0.004 Å |
| c | 13.592 ± 0.002 Å |
| α | 90° |
| β | 103.55 ± 0.02° |
| γ | 90° |
| Cell volume | 1074.7 ± 0.5 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.117 |
| Weighted residual factors for significantly intense reflections | 0.117 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255625 (current) | 2020-08-25 | cif/ Adding structures of 1558910 via cif-deposit CGI script. |
1558910.cif |
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Users of the data should acknowledge the original authors of the
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