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Information card for entry 1505805
Preview
| Coordinates | 1505805.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C13 H12 O4 |
|---|---|
| Calculated formula | C13 H12 O4 |
| SMILES | O1[C@]2(O[C@H](c3ccccc3)[C@@H](O)C2)C=CC1=O |
| Title of publication | Cytotoxic styryl-lactones from the leaves and twigs of Polyalthia crassa. |
| Authors of publication | Tuchinda, Patoomratana; Munyoo, Bamroong; Pohmakotr, Manat; Thinapong, Pongchan; Sophasan, Samaisukh; Santisuk, Thawatchai; Reutrakul, Vichai |
| Journal of publication | Journal of natural products |
| Year of publication | 2006 |
| Journal volume | 69 |
| Journal issue | 12 |
| Pages of publication | 1728 - 1733 |
| a | 9.7649 ± 0.0009 Å |
| b | 4.8852 ± 0.0003 Å |
| c | 11.8369 ± 0.0011 Å |
| α | 90° |
| β | 99.31 ± 0.003° |
| γ | 90° |
| Cell volume | 557.22 ± 0.08 Å3 |
| Cell temperature | 298 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 all reflections | 0.0441 |
| Residual factor for significantly intense reflections | 0.0375 |
| Weighted residual factors for significantly intense reflections | 0.0928 |
| Weighted residual factors for all reflections included in the refinement | 0.0986 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.076 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| 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. |
1505805.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. |
1505805.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1505805.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505805.cif |
| 47752 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505805 via cif-deposit CGI script. |
1505805.cif |
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Users of the data should acknowledge the original authors of the
structural data.