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Information card for entry 1562348
Preview
| Coordinates | 1562348.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | NATPP0097 |
|---|---|
| Formula | C33.5 H40 O11.5 |
| Calculated formula | C33.5 H40 O11.5 |
| SMILES | Oc1cc(c(c2c(cc(O)c3c2O[C@]2([C@H](O)[C@@H](OC)CC=C2C3=O)C)C)c2O[C@]3([C@H](O)[C@@H](OC)CC=C3C(=O)c12)C)C.OC.OC |
| Title of publication | Bioactive Dimeric Tetrahydroxanthones with 2,2'- and 4,4'-Axial Linkages from the Entomopathogenic Fungus <i>Aschersonia confluens</i>. |
| Authors of publication | Sadorn, Karoon; Saepua, Siriporn; Boonyuen, Nattawut; Choowong, Wilunda; Rachtawee, Pranee; Pittayakhajonwut, Pattama |
| Journal of publication | Journal of natural products |
| Year of publication | 2021 |
| Journal volume | 84 |
| Journal issue | 4 |
| Pages of publication | 1149 - 1162 |
| a | 11.938 ± 0.003 Å |
| b | 12.782 ± 0.003 Å |
| c | 12.925 ± 0.003 Å |
| α | 118.386 ± 0.007° |
| β | 92.327 ± 0.009° |
| γ | 114.237 ± 0.008° |
| Cell volume | 1512.3 ± 0.7 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0455 |
| Residual factor for significantly intense reflections | 0.0448 |
| Weighted residual factors for significantly intense reflections | 0.1312 |
| Weighted residual factors for all reflections included in the refinement | 0.1323 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Diffraction radiation X-ray symbol | K-L~3~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562348.cif |
| 275856 | 2022-06-07 | cif/1: Fixing Z values and formulae |
1562348.cif |
| 264808 | 2021-05-04 | cif/ Adding structures of 1562348 via cif-deposit CGI script. |
1562348.cif |
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Users of the data should acknowledge the original authors of the
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