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Information card for entry 4518710
Preview
| Coordinates | 4518710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H21 N O S |
|---|---|
| Calculated formula | C17 H21 N O S |
| Title of publication | Gold(I)-Catalyzed Synthesis of 3-Sulfenyl Pyrroles and Indoles by a Regioselective Annulation of Alkynyl Thioethers |
| Authors of publication | Simm, Peter E.; Sekar, Prakash; Richardson, Jeffery; Davies, Paul W. |
| Journal of publication | ACS Catalysis |
| Year of publication | 2021 |
| Pages of publication | 6357 - 6362 |
| a | 6.7593 ± 0.0003 Å |
| b | 11.1929 ± 0.0004 Å |
| c | 20.8815 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1579.81 ± 0.11 Å3 |
| Cell temperature | 100.01 ± 0.1 K |
| Ambient diffraction temperature | 100.01 ± 0.1 K |
| Number of distinct elements | 5 |
| 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 | 0.0474 |
| Residual factor for significantly intense reflections | 0.0401 |
| Weighted residual factors for significantly intense reflections | 0.0915 |
| Weighted residual factors for all reflections included in the refinement | 0.0973 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 265184 (current) | 2021-05-14 | cif/ Adding structures of 4518710 via cif-deposit CGI script. |
4518710.cif |
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Users of the data should acknowledge the original authors of the
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