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Information card for entry 1557854
Preview
| Coordinates | 1557854.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C15 H18 O3 |
|---|---|
| Calculated formula | C15 H18 O3 |
| SMILES | O[C@@H]1[C@H]2[C@H](c3c([C@@H](C1)C)cc(C)cc3)COC2=O |
| 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 | 17.226 ± 0.0019 Å |
| b | 5.4934 ± 0.0005 Å |
| c | 14.4457 ± 0.0017 Å |
| α | 90° |
| β | 111.841 ± 0.008° |
| γ | 90° |
| Cell volume | 1268.9 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 5 |
| Hermann-Mauguin space group symbol | C 1 2 1 |
| Hall space group symbol | C 2y |
| Residual factor for all reflections | 0.0582 |
| Residual factor for significantly intense reflections | 0.0538 |
| Weighted residual factors for significantly intense reflections | 0.1381 |
| Weighted residual factors for all reflections included in the refinement | 0.1432 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.128 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251048 (current) | 2020-04-22 | cif/ Adding structures of 1557854 via cif-deposit CGI script. |
1557854.cif |
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Users of the data should acknowledge the original authors of the
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