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Information card for entry 4513720
Preview
| Coordinates | 4513720.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H20 O4 S |
|---|---|
| Calculated formula | C19 H20 O4 S |
| SMILES | S(=O)(=O)(C(C(C(=O)C)C(=O)C)c1ccccc1)Cc1ccccc1 |
| Title of publication | Synthesis of Unsymmetrical Sulfides and Their Oxidation to Sulfones to Discover Potent Antileishmanial Agents. |
| Authors of publication | Dar, Ajaz A.; Enjamuri, Nagasuresh; Shadab, Md; Ali, Nahid; Khan, Abu T. |
| Journal of publication | ACS combinatorial science |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 11 |
| Pages of publication | 671 - 681 |
| a | 5.446 ± 0.0004 Å |
| b | 16.8784 ± 0.0017 Å |
| c | 19.1283 ± 0.0014 Å |
| α | 90° |
| β | 91.083 ± 0.007° |
| γ | 90° |
| Cell volume | 1758 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| 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 | 0.1683 |
| Residual factor for significantly intense reflections | 0.073 |
| Weighted residual factors for significantly intense reflections | 0.0999 |
| Weighted residual factors for all reflections included in the refinement | 0.1413 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 170703 (current) | 2015-12-04 | cif/ Adding structures of 4513720 via cif-deposit CGI script. |
4513720.cif |
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Users of the data should acknowledge the original authors of the
structural data.