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Information card for entry 1547558
Preview
| Coordinates | 1547558.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H17 N O3 S |
|---|---|
| Calculated formula | C17 H17 N O3 S |
| SMILES | S(=O)(=O)(NC(=C\C(=O)C)/c1ccccc1)c1ccc(cc1)C |
| Title of publication | Gold(I)/Gold(III)-Catalyzed Selective Synthesis of N-Sulfonyl Enaminone Isomers from Sulfonamides and Ynones via Two Distinct Reaction Pathways. |
| Authors of publication | Lee, Dabon; Kim, Sang Min; Hirao, Hajime; Hong, Soon Hyeok |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 18 |
| Pages of publication | 4734 - 4737 |
| a | 9.8615 ± 0.0008 Å |
| b | 12.1461 ± 0.001 Å |
| c | 14.1071 ± 0.0012 Å |
| α | 90° |
| β | 107.15 ± 0.003° |
| γ | 90° |
| Cell volume | 1614.6 ± 0.2 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223.15 K |
| Number of distinct elements | 5 |
| 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 | 0.1047 |
| Residual factor for significantly intense reflections | 0.0544 |
| Weighted residual factors for significantly intense reflections | 0.1104 |
| Weighted residual factors for all reflections included in the refinement | 0.129 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201709 (current) | 2017-10-05 | cif/ Adding structures of 1547558 via cif-deposit CGI script. |
1547558.cif |
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Users of the data should acknowledge the original authors of the
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