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Information card for entry 1555753
Preview
| Coordinates | 1555753.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H17 Cl N2 O2 S |
|---|---|
| Calculated formula | C18 H17 Cl N2 O2 S |
| SMILES | Cc1ccc(nc1)S(=O)(=O)NCC(Cl)c1cc2ccccc2cc1 |
| Title of publication | Functionalization of Alkenes through Telescoped Continuous Flow Aziridination Processes. |
| Authors of publication | Hsueh, Nathanael; Clarkson, Guy J.; Shipman, Michael |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 19 |
| Pages of publication | 4908 - 4911 |
| a | 11.48668 ± 0.00007 Å |
| b | 7.37203 ± 0.00006 Å |
| c | 20.25344 ± 0.00015 Å |
| α | 90° |
| β | 106.033 ± 0.0007° |
| γ | 90° |
| Cell volume | 1648.35 ± 0.02 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.0332 |
| Weighted residual factors for significantly intense reflections | 0.0911 |
| Weighted residual factors for all reflections included in the refinement | 0.093 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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 |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1555753.cif |
| 239083 | 2019-11-24 | cif/ Adding structures of 1555753 via cif-deposit CGI script. |
1555753.cif |
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Users of the data should acknowledge the original authors of the
structural data.