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Information card for entry 1546461
Preview
| Coordinates | 1546461.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C18 H19 N3 O3 S |
|---|---|
| Calculated formula | C18 H19 N3 O3 S |
| SMILES | S(=O)(=O)(N(c1nc([nH]c1c1ccc(OC)cc1)c1ccccc1)C)C |
| Title of publication | Gold-Catalyzed Formal [3 + 2] Cycloaddition of Ynamides with 4,5-Dihydro-1,2,4-oxadiazoles: Synthesis of Functionalized 4-Aminoimidazoles. |
| Authors of publication | Xu, Wei; Wang, Gaonan; Sun, Ning; Liu, Yuanhong |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 12 |
| Pages of publication | 3307 - 3310 |
| a | 7.4046 ± 0.0011 Å |
| b | 21.681 ± 0.003 Å |
| c | 10.616 ± 0.0016 Å |
| α | 90° |
| β | 100.034 ± 0.003° |
| γ | 90° |
| Cell volume | 1678.2 ± 0.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for significantly intense reflections | 0.1018 |
| Weighted residual factors for all reflections included in the refinement | 0.1086 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198401 (current) | 2017-07-05 | cif/ Adding structures of 1546461 via cif-deposit CGI script. |
1546461.cif |
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Users of the data should acknowledge the original authors of the
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