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Information card for entry 1540426
Preview
| Coordinates | 1540426.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C32 H32 O15 |
|---|---|
| Calculated formula | C32 H32 O15 |
| SMILES | O[C@@H]1[C@H](CC(=C2C(=O)c3c(O)ccc(c3O[C@@]12C(=O)OC)c1c(O)c2C(=O)C[C@](Oc2cc1)([C@@H]1OC(=O)C[C@@H]1C)C(=O)OC)O)C.O |
| Title of publication | Versixanthones A-F, Cytotoxic Xanthone-Chromanone Dimers from the Marine-Derived Fungus Aspergillus versicolor HDN1009. |
| Authors of publication | Wu, Guangwei; Yu, Guihong; Kurtán, Tibor; Mándi, Attila; Peng, Jixing; Mo, Xiaomei; Liu, Ming; Li, Hui; Sun, Xinhua; Li, Jing; Zhu, Tianjiao; Gu, Qianqun; Li, Dehai |
| Journal of publication | Journal of natural products |
| Year of publication | 2015 |
| Journal volume | 78 |
| Journal issue | 11 |
| Pages of publication | 2691 - 2698 |
| a | 7.0833 ± 0.0001 Å |
| b | 13.9608 ± 0.0001 Å |
| c | 31.0735 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3072.81 ± 0.06 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0348 |
| Weighted residual factors for significantly intense reflections | 0.1008 |
| Weighted residual factors for all reflections included in the refinement | 0.1048 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 1.54184 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. |
1540426.cif |
| 170805 | 2015-12-06 | cif/ Updating files of 1540426 Original log message: Adding full bibliography for 1540426.cif. |
1540426.cif |
| 169768 | 2015-10-28 | cif/ Adding structures of 1540426 via cif-deposit CGI script. |
1540426.cif |
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Users of the data should acknowledge the original authors of the
structural data.