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Information card for entry 4127265
Preview
| Coordinates | 4127265.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C14 H18 N2 O8 S |
|---|---|
| Calculated formula | C14 H18 N2 O8 S |
| SMILES | [C@H]1([C@@H]([C@@H](C)O[C@@H](C1)O)OC(=O)C)NS(=O)(=O)c1ccc(cc1)N(=O)=O |
| Title of publication | Hydrogen-Bonding-Assisted Exogenous Nucleophilic Reagent Effect for β-Selective Glycosylation of Rare 3-Amino Sugars. |
| Authors of publication | Zeng, Jing; Wang, Ruobin; Zhang, Shuxin; Fang, Jing; Liu, Shanshan; Sun, Guangfei; Xu, Bingbing; Xiao, Ying; Fu, Dengxian; Zhang, Wenqi; Hu, Yixin; Wan, Qian |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2019 |
| Journal volume | 141 |
| Journal issue | 21 |
| Pages of publication | 8509 - 8515 |
| a | 7.6915 ± 0.0003 Å |
| b | 13.4945 ± 0.0006 Å |
| c | 16.2687 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1688.58 ± 0.12 Å3 |
| Cell temperature | 294 ± 2 K |
| Ambient diffraction temperature | 294 ± 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 | 0.0469 |
| Residual factor for significantly intense reflections | 0.045 |
| Weighted residual factors for significantly intense reflections | 0.1146 |
| Weighted residual factors for all reflections included in the refinement | 0.1211 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4127265.cif |
| 223208 | 2019-11-04 | cif/ Updating files of 4127265 Original log message: Adding full bibliography for 4127265.cif. |
4127265.cif |
| 215182 | 2019-05-16 | cif/ Adding structures of 4127265 via cif-deposit CGI script. |
4127265.cif |
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Users of the data should acknowledge the original authors of the
structural data.