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Information card for entry 1557375
Preview
| Coordinates | 1557375.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C17 H26 O5 |
|---|---|
| Calculated formula | C17 H26 O5 |
| SMILES | O.O=C1C=C2CC[C@@H]3[C@@](C)([C@H]2C[C@H]1O)CCC[C@]3(C(=O)O)C |
| Title of publication | Diterpenoids from the Root Bark of Pinus massoniana and Evaluation of Their Phosphodiesterase Type 4D Inhibitory Activity |
| Authors of publication | Fu, Yifan; Ding, Xiaoyu; Zhang, Xianglei; Shao, Xingcheng; Zhao, Jihui; Xu, Yechun; Luo, Xiaomin; Zhao, Weimin |
| Journal of publication | Journal of Natural Products |
| Year of publication | 2020 |
| a | 9.8562 ± 0.0002 Å |
| b | 7.7464 ± 0.0002 Å |
| c | 10.34 ± 0.0002 Å |
| α | 90° |
| β | 91.055 ± 0.001° |
| γ | 90° |
| Cell volume | 789.33 ± 0.03 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 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 | 0.0316 |
| Residual factor for significantly intense reflections | 0.0299 |
| Weighted residual factors for significantly intense reflections | 0.076 |
| Weighted residual factors for all reflections included in the refinement | 0.0779 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 248463 (current) | 2020-02-27 | cif/ Adding structures of 1557375 via cif-deposit CGI script. |
1557375.cif |
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Users of the data should acknowledge the original authors of the
structural data.