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Information card for entry 7119600
Preview
| Coordinates | 7119600.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]2[C@H](O)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 | 5.3751 ± 0.0003 Å |
| b | 7.6377 ± 0.0004 Å |
| c | 38.647 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1586.59 ± 0.15 Å3 |
| Cell temperature | 123 K |
| Ambient diffraction temperature | 123 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 | 0.0375 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| 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. |
7119600.cif |
| 191444 | 2017-02-04 | cif/ Adding structures of 7119600, 7119601 via cif-deposit CGI script. |
7119600.cif |
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Users of the data should acknowledge the original authors of the
structural data.