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Information card for entry 7220503
Preview
| Coordinates | 7220503.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Glycyfuranocoumarin A |
|---|---|
| Formula | C21 H20 O6 |
| Calculated formula | C21 H20 O6 |
| 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 | 9.33933 ± 0.00018 Å |
| b | 19.7504 ± 0.0004 Å |
| c | 9.61969 ± 0.00017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1774.4 ± 0.06 Å3 |
| Cell temperature | 180.01 ± 0.1 K |
| Ambient diffraction temperature | 180.01 ± 0.1 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 | 0.0313 |
| Residual factor for significantly intense reflections | 0.0289 |
| Weighted residual factors for significantly intense reflections | 0.0745 |
| Weighted residual factors for all reflections included in the refinement | 0.0763 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7220503.cif |
| 137032 | 2015-05-20 | cif/ Adding structures of 7220501, 7220502, 7220503 via cif-deposit CGI script. |
7220503.cif |
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Users of the data should acknowledge the original authors of the
structural data.