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Information card for entry 7242906
Preview
| Coordinates | 7242906.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | Ochracine F |
|---|---|
| Formula | C15 H25 O5.5 |
| Calculated formula | C15 H25 O5.5 |
| SMILES | OC(=O)C1=CC[C@]2([C@]3(CC[C@](O)(OC3)[C@H]2C)C)CC1.O.O |
| Title of publication | Structure and absolute configuration assignments of ochracines F–L, chamigrane and cadinane sesquiterpenes from the basidiomycete Steccherinum ochraceum HFG119 |
| Authors of publication | Zhao, Zhen-Zhu; Zhao, Qi-Lu; Feng, Wei-Sheng; He, Hai-Rong; Li, Meng; Xue, Gui-Min; Chen, He-Ping; Liu, Ji-Kai |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 31 |
| Pages of publication | 18693 - 18701 |
| a | 6.1285 ± 0.0005 Å |
| b | 32.973 ± 0.003 Å |
| c | 7.7602 ± 0.0006 Å |
| α | 90° |
| β | 108.863 ± 0.003° |
| γ | 90° |
| Cell volume | 1483.9 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0615 |
| Residual factor for significantly intense reflections | 0.0579 |
| Weighted residual factors for significantly intense reflections | 0.1595 |
| Weighted residual factors for all reflections included in the refinement | 0.1664 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 296876 (current) | 2024-12-16 | cif/7: Fixing Z values and formulae |
7242906.cif |
| 265479 | 2021-05-25 | cif/ Adding structures of 7242906 via cif-deposit CGI script. |
7242906.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.