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Information card for entry 1516622
Preview
| Coordinates | 1516622.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C30 H28 O13 |
|---|---|
| Calculated formula | C30 H28 O13 |
| SMILES | [C@@H]1([C@@H]([C@H]([C@H](CO1)OC(=O)C)OC(=O)C)O)Oc1c2c(cc(c(c2)OC)OC)c(c2c1COC2=O)c1cc2c(cc1)OCO2 |
| Title of publication | Potent Cytotoxic Arylnaphthalene Lignan Lactones from Phyllanthus poilanei. |
| Authors of publication | Ren, Yulin; Lantvit, Daniel D.; Deng, Youcai; Kanagasabai, Ragu; Gallucci, Judith C.; Ninh, Tran Ngoc; Chai, Hee-Byung; Soejarto, Djaja D.; Fuchs, James R.; Yalowich, Jack C.; Yu, Jianhua; Swanson, Steven M.; Kinghorn, A. Douglas |
| Journal of publication | Journal of natural products |
| Year of publication | 2014 |
| Journal volume | 77 |
| Journal issue | 6 |
| Pages of publication | 1494 - 1504 |
| a | 21.4292 ± 0.0006 Å |
| b | 21.4292 ± 0.0006 Å |
| c | 21.4162 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 8517 ± 0.4 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 178 |
| Hermann-Mauguin space group symbol | P 61 2 2 |
| Hall space group symbol | P 61 2 (0 0 5) |
| Residual factor for all reflections | 0.0501 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0825 |
| Weighted residual factors for all reflections included in the refinement | 0.0889 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.2399 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1516622.cif |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1516622.cif |
| 119167 | 2014-07-05 | cif/ Updating files of 1516622 Original log message: Adding full bibliography for 1516622.cif. |
1516622.cif |
| 116905 | 2014-06-14 | cif/ Adding structures of 1516622 via cif-deposit CGI script. |
1516622.cif |
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