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Information card for entry 7158136
Preview
| Coordinates | 7158136.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H19 O6.5 |
|---|---|
| Calculated formula | C13 H19 O6.5 |
| SMILES | O(c1c2c(OC(O)(CC)C2=O)c(c(O)c1)CC)C.O.O |
| Title of publication | Structures and absolute configurations of phomalones from the coral-associated fungus Parengyodontium album sp. SCSIO 40430. |
| Authors of publication | Wang, Lu; Huang, Yanbing; Zhang, Liping; Liu, Zhiwen; Liu, Wei; Xu, Huixin; Zhang, Qingbo; Zhang, Haibo; Yan, Yan; Liu, Zhiyong; Zhang, Tianyu; Zhang, Wenjun; Zhang, Changsheng |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2021 |
| Journal volume | 19 |
| Journal issue | 27 |
| Pages of publication | 6030 - 6037 |
| a | 10.3819 ± 0.0006 Å |
| b | 12.0675 ± 0.0007 Å |
| c | 12.3012 ± 0.0006 Å |
| α | 70.999 ± 0.005° |
| β | 84.623 ± 0.005° |
| γ | 83.524 ± 0.005° |
| Cell volume | 1445.2 ± 0.14 Å3 |
| Cell temperature | 99.9 ± 0.6 K |
| Ambient diffraction temperature | 99.9 ± 0.6 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 | 0.0695 |
| Residual factor for significantly intense reflections | 0.0633 |
| Weighted residual factors for significantly intense reflections | 0.2135 |
| Weighted residual factors for all reflections included in the refinement | 0.22 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.073 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 298703 (current) | 2025-04-03 | cif/7: Fixing Z values and formulae |
7158136.cif |
| 268921 | 2021-09-06 | cif/ Updating files of 7158134, 7158135, 7158136, 7158137, 7158138 Original log message: Adding full bibliography for 7158134--7158138.cif. |
7158136.cif |
| 266631 | 2021-06-23 | cif/ Adding structures of 7158134, 7158135, 7158136, 7158137, 7158138 via cif-deposit CGI script. |
7158136.cif |
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Users of the data should acknowledge the original authors of the
structural data.