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Information card for entry 7119601
Preview
| Coordinates | 7119601.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C16 H26 O4 |
|---|---|
| Calculated formula | C16 H26 O4 |
| SMILES | O=C1O[C@]2(O[C@@H]([C@H]2O)CCCCCCCCCC)C=C1.O=C1O[C@@]2(O[C@H]([C@@H]2O)CCCCCCCCCC)C=C1 |
| Title of publication | Synthesis of ramariolide natural products and discovery of their targets in mycobacteria. |
| Authors of publication | Lehmann, Johannes; Richers, Johannes; Pöthig, Alexander; Sieber, Stephan A. |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2016 |
| Journal volume | 53 |
| Journal issue | 1 |
| Pages of publication | 107 - 110 |
| a | 5.371 ± 0.0012 Å |
| b | 10.283 ± 0.002 Å |
| c | 29.398 ± 0.007 Å |
| α | 87.277 ± 0.008° |
| β | 84.938 ± 0.008° |
| γ | 89.485 ± 0.008° |
| Cell volume | 1615.5 ± 0.6 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0643 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1137 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.134 |
| 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 |
|---|---|---|---|
| 301857 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
7119601.cif |
| 191444 | 2017-02-04 | cif/ Adding structures of 7119600, 7119601 via cif-deposit CGI script. |
7119601.cif |
All data in the COD and the database itself are dedicated to the
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.
Users of the data should acknowledge the original authors of the
structural data.