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Information card for entry 1553444
Preview
| Coordinates | 1553444.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C16 H16 O3 S |
|---|---|
| Calculated formula | C16 H16 O3 S |
| SMILES | c1(ccc(OC)cc1)/C=C/S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Magnetically separable nano-copper catalyzed unprecedented stereoselective synthesis of E-vinyl sulfones from tosylmethyl isocyanide and alkynes: TosMIC as a source of the sulfonyl group |
| Authors of publication | Phanindrudu, Mandalaparthi; Tiwari, Dipak Kumar; Sridhar, B.; Likhar, Pravin R.; Tiwari, Dharmendra Kumar |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2016 |
| Journal volume | 3 |
| Journal issue | 7 |
| Pages of publication | 795 |
| a | 5.9262 ± 0.0004 Å |
| b | 8.0475 ± 0.0005 Å |
| c | 31.957 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1524.06 ± 0.17 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.089 |
| Residual factor for significantly intense reflections | 0.0663 |
| Weighted residual factors for significantly intense reflections | 0.1648 |
| Weighted residual factors for all reflections included in the refinement | 0.1804 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.117 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 235001 (current) | 2019-11-23 | cif/ Adding structures of 1553444 via cif-deposit CGI script. |
1553444.cif |
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