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Information card for entry 7222015
Preview
| Coordinates | 7222015.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C24 H18 N2 O3 S |
|---|---|
| Calculated formula | C24 H18 N2 O3 S |
| SMILES | c1(ccccn1)CNS(=O)(=O)c1ccc(cc1)c1cccc2c3ccccc3oc12 |
| Title of publication | An efficient one-pot access to N-(pyridin-2-ylmethyl) substituent biphenyl-4-sulfonamides through water-promoted, palladium-catalyzed, microwave-assisted reactions |
| Authors of publication | Huang, Zhi-You; Yang, Jing-Fang; Chen, Qian; Cao, Run-Jie; Huang, Wei; Hao, Ge-Fei; Yang, Guang-Fu |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 92 |
| Pages of publication | 75182 |
| a | 11.3834 ± 0.0014 Å |
| b | 12.9542 ± 0.0016 Å |
| c | 26.397 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3892.6 ± 0.8 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0549 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.1213 |
| Weighted residual factors for all reflections included in the refinement | 0.1341 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7222015.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7222015.cif |
| 154312 | 2015-09-05 | cif/ Adding structures of 7222015 via cif-deposit CGI script. |
7222015.cif |
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Users of the data should acknowledge the original authors of the
structural data.