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Information card for entry 1547057
Preview
| Coordinates | 1547057.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H17 N O2 S |
|---|---|
| Calculated formula | C13 H17 N O2 S |
| SMILES | S1(=O)(=O)N=C(CCC1(C)C)c1ccc(cc1)C |
| Title of publication | N-Radical Initiated Aminosulfonylation of Unactivated C(sp(3))-H Bond through Insertion of Sulfur Dioxide. |
| Authors of publication | Li, Yuewen; Mao, Runyu; Wu, Jie |
| Journal of publication | Organic letters |
| Year of publication | 2017 |
| Journal volume | 19 |
| Journal issue | 17 |
| Pages of publication | 4472 - 4475 |
| a | 6.133 ± 0.0019 Å |
| b | 10.094 ± 0.003 Å |
| c | 20.181 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1249.3 ± 0.7 Å3 |
| Cell temperature | 203 ± 2 K |
| Ambient diffraction temperature | 203 ± 2 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 | 0.0453 |
| Residual factor for significantly intense reflections | 0.0374 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.1153 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.115 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 200566 (current) | 2017-09-12 | cif/ Adding structures of 1547057 via cif-deposit CGI script. |
1547057.cif |
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