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Information card for entry 7220502
Preview
| Coordinates | 7220502.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | (S)-glycyfuranocoumarin A |
|---|---|
| Formula | C21 H20 O6 |
| Calculated formula | C21 H20 O6 |
| SMILES | o1c2c(c(OC)cc3O[C@H](C(c23)(C)C)C)cc(c1=O)c1c(cc(O)cc1)O |
| Title of publication | Enantiomeric 3-arylcoumarins and 2-arylcoumarones from the roots of Glycyrrhiza uralensis as protein tyrosine phosphatase 1B (PTP1B) inhibitors |
| Authors of publication | Ji, Shuai; Qiao, Xue; Li, Zi-wei; Wang, Yong-rui; Yu, Si-wang; Liang, Wen-fei; Lin, Xiong-hao; Ye, Min |
| Journal of publication | RSC Adv. |
| Year of publication | 2015 |
| Journal volume | 5 |
| Journal issue | 56 |
| Pages of publication | 45258 |
| a | 9.3355 ± 0.0003 Å |
| b | 9.6307 ± 0.0003 Å |
| c | 19.5386 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1756.66 ± 0.08 Å3 |
| Cell temperature | 100.8 K |
| Ambient diffraction temperature | 100.8 K |
| Number of distinct elements | 3 |
| 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 | 0.0374 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0895 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| 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. |
7220502.cif |
| 137032 | 2015-05-20 | cif/ Adding structures of 7220501, 7220502, 7220503 via cif-deposit CGI script. |
7220502.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.