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Information card for entry 1562540
Preview
| Coordinates | 1562540.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C20 H28 O2 |
|---|---|
| Calculated formula | C20 H28 O2 |
| SMILES | Oc1cc2C(=O)C[C@@H]3[C@](c2cc1C(C)C)(C)CCCC3(C)C |
| Title of publication | Structurally Diverse Diterpenoids from the Roots of <i>Salvia deserta</i> Based on Nine Different Skeletal Types. |
| Authors of publication | Kadir, Abdukriem; Zheng, Guijuan; Zheng, Xiaofeng; Jin, Pengfei; Maiwulanjiang, Maitinuer; Gao, Biao; Aisa, Haji Akber; Yao, Guangmin |
| Journal of publication | Journal of natural products |
| Year of publication | 2021 |
| Journal volume | 84 |
| Journal issue | 5 |
| Pages of publication | 1442 - 1452 |
| a | 14.195 ± 0.0011 Å |
| b | 8.5829 ± 0.0004 Å |
| c | 15.3489 ± 0.001 Å |
| α | 90° |
| β | 108.801 ± 0.008° |
| γ | 90° |
| Cell volume | 1770.2 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0703 |
| Residual factor for significantly intense reflections | 0.0595 |
| Weighted residual factors for significantly intense reflections | 0.1577 |
| Weighted residual factors for all reflections included in the refinement | 0.1884 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.151 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301787 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/56 Each referenced PubChem compound corresponds to the full crystal structure. |
1562540.cif |
| 265755 | 2021-06-04 | cif/ Updating files of 1562538, 1562539, 1562540, 1562541, 1562542, 1562543 Original log message: Adding full bibliography for 1562538--1562543.cif. |
1562540.cif |
| 265156 | 2021-05-13 | cif/ Adding structures of 1562540 via cif-deposit CGI script. |
1562540.cif |
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Users of the data should acknowledge the original authors of the
structural data.