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Information card for entry 1543449
Preview
| Coordinates | 1543449.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C15 H18 O3 |
|---|---|
| Calculated formula | C15 H18 O3 |
| SMILES | O=C1C=C([C@H]2C1=C(CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)C)C |
| Title of publication | Dehydroleucodine, a Sesquiterpene Lactone from Gynoxys verrucosa, Demonstrates Cytotoxic Activity against Human Leukemia Cells. |
| Authors of publication | Ordóñez, Paola E; Sharma, Krishan K.; Bystrom, Laura M.; Alas, Maria A.; Enriquez, Raul G.; Malagón, Omar; Jones, Darin E.; Guzman, Monica L.; Compadre, Cesar M. |
| Journal of publication | Journal of natural products |
| Year of publication | 2016 |
| Journal volume | 79 |
| Journal issue | 4 |
| Pages of publication | 691 - 696 |
| a | 7.5528 ± 0.0002 Å |
| b | 11.7831 ± 0.0003 Å |
| c | 14.103 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1255.1 ± 0.05 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 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 | 0.0286 |
| Residual factor for significantly intense reflections | 0.0284 |
| Weighted residual factors for significantly intense reflections | 0.0751 |
| Weighted residual factors for all reflections included in the refinement | 0.0753 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1543449.cif |
| 183540 | 2016-06-16 | cif/ Adding structures of 1543449 via cif-deposit CGI script. |
1543449.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.