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Information card for entry 7120677
Preview
| Coordinates | 7120677.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H27 N3 O3 S |
|---|---|
| Calculated formula | C17 H27 N3 O3 S |
| SMILES | S(=O)(=O)(/N=C(NC(C)(C)C)/C(=O)NC(C)(C)C)c1ccc(cc1)C |
| Title of publication | Cobalt(II)-Catalyzed Bis-isocyanides Insertion Reactions with Sulfonyl Azides via Nitrene Radical: Chemoselective Synthesis of The Sulfonylamidyl amide and 3-Imine Indole Derivatives |
| Authors of publication | Gu, Zheng-Yang; Li, Jing-Hao; Wang, Shun-Yi; Ji, Shun-Jun |
| Journal of publication | Chem. Commun. |
| Year of publication | 2017 |
| a | 11.655 ± 0.0006 Å |
| b | 11.2975 ± 0.0007 Å |
| c | 29.9934 ± 0.0014 Å |
| α | 90° |
| β | 92.006 ± 0.005° |
| γ | 90° |
| Cell volume | 3946.9 ± 0.4 Å3 |
| Cell temperature | 284.94 ± 0.1 K |
| Ambient diffraction temperature | 284.94 ± 0.1 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 | 0.1078 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1558 |
| Weighted residual factors for all reflections included in the refinement | 0.2029 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201054 (current) | 2017-09-20 | cif/ Adding structures of 7120676, 7120677, 7120678 via cif-deposit CGI script. |
7120677.cif |
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Users of the data should acknowledge the original authors of the
structural data.