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Information card for entry 1507809
Preview
| Coordinates | 1507809.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H24 O8 |
|---|---|
| Calculated formula | C28 H24 O8 |
| SMILES | O=C(OC[C@]1(O)[C@@H]2[C@H](C=CC1=O)[C@H]1C(=O)[C@](O)(COC(=O)c3ccccc3)[C@@H]2C=C1)c1ccccc1 |
| Title of publication | Antiausterity Agents from Uvaria dac and Their Preferential Cytotoxic Activity against Human Pancreatic Cancer Cell Lines in a Nutrient-Deprived Condition. |
| Authors of publication | Awale, Suresh; Ueda, Jun-Ya; Athikomkulchai, Sirivan; Abdelhamed, Sherif; Yokoyama, Satoru; Saiki, Ikuo; Miyatake, Ryuta |
| Journal of publication | Journal of natural products |
| Year of publication | 2012 |
| Journal volume | 75 |
| Journal issue | 6 |
| Pages of publication | 1177 - 1183 |
| a | 10.6034 ± 0.0005 Å |
| b | 6.2661 ± 0.0003 Å |
| c | 18.0594 ± 0.0008 Å |
| α | 90° |
| β | 107.232 ± 0.003° |
| γ | 90° |
| Cell volume | 1146.04 ± 0.09 Å3 |
| Cell temperature | 173 K |
| Ambient diffraction temperature | 173 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for all reflections included in the refinement | 0.2682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.129 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507809.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1507809.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507809.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1507809.cif |
| 62301 | 2012-07-07 | cif/ Adding structures of 1507809 via cif-deposit CGI script. |
1507809.cif |
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Users of the data should acknowledge the original authors of the
structural data.