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Information card for entry 1557855
Preview
| Coordinates | 1557855.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H20 O4 |
|---|---|
| Calculated formula | C15 H20 O4 |
| SMILES | O=C(O)C1=C[C@@H]2C[C@](C(=O)O)(C)C[C@@]32[C@H]1CC[C@H]3C |
| Title of publication | Sesquiterpenoids from Cultures of the Basidiomycetes <i>Irpex lacteus</i>. |
| Authors of publication | Wang, Meng; Du, Jiao-Xian; Hui-Xiang, Yang; Dai, Quan; Liu, Ya-Pei; He, Juan; Wang, Yi; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 6.6612 ± 0.0004 Å |
| b | 11.0697 ± 0.0006 Å |
| c | 9.6314 ± 0.0005 Å |
| α | 90° |
| β | 103.76 ± 0.001° |
| γ | 90° |
| Cell volume | 689.81 ± 0.07 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0303 |
| Residual factor for significantly intense reflections | 0.0301 |
| Weighted residual factors for significantly intense reflections | 0.0773 |
| Weighted residual factors for all reflections included in the refinement | 0.0776 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 1.54178 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251049 (current) | 2020-04-22 | cif/ Adding structures of 1557855 via cif-deposit CGI script. |
1557855.cif |
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Users of the data should acknowledge the original authors of the
structural data.