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Information card for entry 1556711
Preview
| Coordinates | 1556711.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H32 O8 |
|---|---|
| Calculated formula | C27 H32 O8 |
| SMILES | O[C@]12C(=O)O[C@@]3([C@@H](OC(=O)C)C4=C([C@]5(C=CC(=O)C5(C)C)CC[C@]4(C)[C@]1(C3=C)C(=O)O[C@@H]2C)C)C |
| Title of publication | Structurally Diverse Meroterpenoids from a Marine-Derived Aspergillus sp. Fungus |
| Authors of publication | Wen, Huiling; Yang, Xiliang; Liu, Qian; Li, Shuangjun; Li, Qin; Zang, Yi; Chen, Chunmei; Wang, Jianping; Zhu, Hucheng; Zhang, Yonghui |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2019 |
| a | 9.93659 ± 0.00004 Å |
| b | 13.42999 ± 0.00005 Å |
| c | 18.77544 ± 0.00008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2505.55 ± 0.017 Å3 |
| Cell temperature | 99.8 ± 0.3 K |
| Ambient diffraction temperature | 99.8 ± 0.3 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 | 0.0249 |
| Residual factor for significantly intense reflections | 0.0248 |
| Weighted residual factors for significantly intense reflections | 0.0657 |
| Weighted residual factors for all reflections included in the refinement | 0.0658 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 245534 (current) | 2019-12-24 | cif/ Adding structures of 1556711 via cif-deposit CGI script. |
1556711.cif |
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Users of the data should acknowledge the original authors of the
structural data.