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Information card for entry 1520450
Preview
| Coordinates | 1520450.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C17 H17 N O2 S2 |
|---|---|
| Calculated formula | C17 H17 N O2 S2 |
| SMILES | S1c2cc(ccc2S(=O)(=O)N(CC\1=C/c1ccccc1)C)C |
| Title of publication | Use of Elemental Sulfur or Selenium in a Novel One-Pot Copper-Catalyzed Tandem Cyclization of Functionalized Ynamides Leading to Benzosultams. |
| Authors of publication | Siva Reddy, Alla; Kumara Swamy, K. C. |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 12 |
| Pages of publication | 2996 - 2999 |
| a | 6.63588 ± 0.00015 Å |
| b | 12.9255 ± 0.0003 Å |
| c | 19.0476 ± 0.0004 Å |
| α | 90° |
| β | 93.665 ± 0.002° |
| γ | 90° |
| Cell volume | 1630.41 ± 0.06 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 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 all reflections | 0.0415 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.1054 |
| Weighted residual factors for all reflections included in the refinement | 0.1076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
Version history
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