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Information card for entry 1506441
Preview
| Coordinates | 1506441.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | 1β,10α,4α,Diepoxy-6α,8β-diacetoxy-7βH-germacra-14-al |
|---|---|
| Formula | C19 H28 O7 |
| Calculated formula | C19 H28 O7 |
| SMILES | O1[C@@H]2CC[C@]3(O[C@@H]3[C@@H](OC(=O)C)[C@H]([C@H](OC(=O)C)C[C@@]12C=O)C(C)C)C |
| Title of publication | Sesquiterpenoids from Pulicaria canariensis and their cytotoxic activities. |
| Authors of publication | Triana, Jorge; López, Mariana; Pérez, Francisco J; González-Platas, Javier; Quintana, José; Estévez, Francisco; León, Francisco; Bermejo, Jaime |
| Journal of publication | Journal of natural products |
| Year of publication | 2005 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | 523 - 531 |
| a | 9.698 ± 0.001 Å |
| b | 13.617 ± 0.001 Å |
| c | 14.946 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1973.7 ± 0.3 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 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 | 0.0745 |
| Residual factor for significantly intense reflections | 0.0637 |
| Weighted residual factors for significantly intense reflections | 0.1682 |
| Weighted residual factors for all reflections included in the refinement | 0.1801 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.178 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201954 (current) | 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. |
1506441.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. |
1506441.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506441.cif |
| 50320 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506439, 1506440, 1506441, 1506442 via cif-deposit CGI script. |
1506441.cif |
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