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Information card for entry 7240976
Preview
| Coordinates | 7240976.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C10 H12 O7 |
|---|---|
| Calculated formula | C10 H12 O7 |
| SMILES | O(c1c(O)c2c(c(c1O)C)C(O)OC2=O)C.O |
| Title of publication | Fused multicyclic polyketides with a two-spiro-carbon skeleton from mangrove-derived endophytic fungus Epicoccum nigrum SCNU-F0002 |
| Authors of publication | Yan, Zhangyuan; Li, Jialin; Ye, Geting; Chen, Tao; Li, Meimei; Liang, Yanmin; Long, Yuhua |
| Journal of publication | RSC Advances |
| Year of publication | 2020 |
| Journal volume | 10 |
| Journal issue | 48 |
| Pages of publication | 28560 - 28566 |
| a | 7.7136 ± 0.0004 Å |
| b | 8.6961 ± 0.0005 Å |
| c | 9.1169 ± 0.0005 Å |
| α | 68.073 ± 0.005° |
| β | 79.306 ± 0.004° |
| γ | 64.143 ± 0.005° |
| Cell volume | 510.32 ± 0.06 Å3 |
| Cell temperature | 150 ± 0.1 K |
| Ambient diffraction temperature | 150 ± 0.1 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 | 0.0483 |
| Residual factor for significantly intense reflections | 0.0463 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1371 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| 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 |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7240976.cif |
| 258082 | 2020-10-06 | cif/ Updating files of 7240976 Original log message: Adding full bibliography for 7240976.cif. |
7240976.cif |
| 254787 | 2020-08-04 | cif/ Adding structures of 7240976 via cif-deposit CGI script. |
7240976.cif |
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Users of the data should acknowledge the original authors of the
structural data.