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Information card for entry 1506456
Preview
| Coordinates | 1506456.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C20 H22 O6 |
|---|---|
| Calculated formula | C20 H22 O6 |
| SMILES | O1C(=O)[C@H]2C=C3[C@@]45O[C@@H]1[C@@]2([C@@H]4CC[C@@]([C@@H]5C(=O)OC(=C3)OC)(C=C)C)C |
| Title of publication | Transtaganolides A-D: novel metabolites from Thapsia transtagana. |
| Authors of publication | Saouf, Abderrahmane; Guerra, Francisco M.; Rubal, Juan J.; Moreno-Dorado, F Javier; Akssira, Mohamed; Mellouki, Fouad; López, Matías; Pujadas, Antonio J.; Jorge, Zacarías D; Massanet, Guillermo M. |
| Journal of publication | Organic letters |
| Year of publication | 2005 |
| Journal volume | 7 |
| Journal issue | 5 |
| Pages of publication | 881 - 884 |
| a | 10.052 ± 0.004 Å |
| b | 10.322 ± 0.004 Å |
| c | 17.378 ± 0.009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1803.1 ± 1.4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0605 |
| Residual factor for significantly intense reflections | 0.0553 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1377 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.139 |
| 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. |
1506456.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. |
1506456.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. |
1506456.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506456.cif |
| 50326 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506456 via cif-deposit CGI script. |
1506456.cif |
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Users of the data should acknowledge the original authors of the
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