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Information card for entry 1555457
Preview
| Coordinates | 1555457.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C23 H18 N2 O3 S |
|---|---|
| Calculated formula | C23 H18 N2 O3 S |
| SMILES | c1ccccc1C(=O)Nc1ccc(c2c1nccc2)S(=O)(=O)c1ccc(cc1)C |
| Title of publication | Copper(I)-Catalyzed Sulfonylation of 8-Aminoquinoline Amides with Sulfonyl Chlorides in Air. |
| Authors of publication | Qiao, Huijie; Sun, Suyan; Yang, Fan; Zhu, Yu; Zhu, Weiguo; Dong, Yaxi; Wu, Yusheng; Kong, Xiangtao; Jiang, Ling; Wu, Yangjie |
| Journal of publication | Organic letters |
| Year of publication | 2015 |
| Journal volume | 17 |
| Journal issue | 24 |
| Pages of publication | 6086 - 6089 |
| a | 9.5468 ± 0.0005 Å |
| b | 10.4076 ± 0.0006 Å |
| c | 11.3179 ± 0.0007 Å |
| α | 103.653 ± 0.005° |
| β | 93.612 ± 0.005° |
| γ | 114.414 ± 0.006° |
| Cell volume | 978.53 ± 0.12 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0597 |
| Residual factor for significantly intense reflections | 0.0522 |
| Weighted residual factors for significantly intense reflections | 0.1423 |
| Weighted residual factors for all reflections included in the refinement | 0.1513 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
1555457.cif |
| 238713 | 2019-11-24 | cif/ Adding structures of 1555457 via cif-deposit CGI script. |
1555457.cif |
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Users of the data should acknowledge the original authors of the
structural data.