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Information card for entry 7154160
Preview
| Coordinates | 7154160.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C13 H19 N O2 S |
|---|---|
| Calculated formula | C13 H19 N O2 S |
| SMILES | S(=O)(=O)(c1ccc(cc1)C)/C=C/N(CC)CC |
| Title of publication | Visible light-mediated dehydrogenative β-arylsulfonylation of tertiary aliphatic amines with arylsulfonyl chlorides. |
| Authors of publication | Chen, Min; Huang, Zhi-Tang; Zheng, Qi-Yu |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2014 |
| Journal volume | 12 |
| Journal issue | 46 |
| Pages of publication | 9337 |
| a | 22.425 ± 0.005 Å |
| b | 8.478 ± 0.003 Å |
| c | 14.695 ± 0.007 Å |
| α | 90° |
| β | 108.438 ± 0.004° |
| γ | 90° |
| Cell volume | 2650.4 ± 1.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0952 |
| Residual factor for significantly intense reflections | 0.0809 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1662 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.16 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7154160.cif |
| 180327 | 2016-03-26 | cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/41. |
7154160.cif |
| 126517 | 2014-11-06 | cif/ Updating files of 7154159, 7154160 Original log message: Adding full bibliography for 7154159--7154160.cif. |
7154160.cif |
| 125657 | 2014-10-22 | cif/ Adding structures of 7154159, 7154160 via cif-deposit CGI script. |
7154160.cif |
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