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Information card for entry 1562347
Preview
| Coordinates | 1562347.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | NATPP0083 |
|---|---|
| Formula | C34 H42 O12 |
| Calculated formula | C34 H42 O12 |
| SMILES | c1(c(c(cc2O[C@]3([C@H](O)[C@H](CC=C3C(=O)c12)OC)C)C)c1c(O)c2C(=O)C3=CC[C@@H]([C@@H](O)[C@@]3(Oc2cc1C)C)OC)O.CO.CO |
| 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 | 24.152 ± 0.004 Å |
| b | 9.2708 ± 0.0016 Å |
| c | 6.9096 ± 0.0011 Å |
| α | 90° |
| β | 94.898 ± 0.005° |
| γ | 90° |
| Cell volume | 1541.5 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.031 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0924 |
| Weighted residual factors for all reflections included in the refinement | 0.0926 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.14 |
| 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. |
1562347.cif |
| 264807 | 2021-05-04 | cif/ Adding structures of 1562347 via cif-deposit CGI script. |
1562347.cif |
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Users of the data should acknowledge the original authors of the
structural data.