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Information card for entry 1557139
Preview
| Coordinates | 1557139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H30 O3 |
|---|---|
| Calculated formula | C19 H30 O3 |
| SMILES | O1CC[C@@]2([C@H]1C1=CC[C@H]3[C@](O)(CO)CCC[C@@]3([C@H]1CC2)C)C |
| Title of publication | Immunosuppressive Nor-isopimarane Diterpenes from Cultures of the Fungicolous Fungus <i>Xylaria longipes</i> HFG1018. |
| Authors of publication | Chen, He-Ping; Zhao, Zhen-Zhu; Cheng, Gui-Guang; Zhao, Kuan; Han, Kai-Yue; Zhou, Lin; Feng, Tao; Li, Zheng-Hui; Liu, Ji-Kai |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 6.8215 ± 0.0006 Å |
| b | 10.0565 ± 0.0008 Å |
| c | 24.1425 ± 0.0019 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1656.2 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0371 |
| Residual factor for significantly intense reflections | 0.0368 |
| Weighted residual factors for significantly intense reflections | 0.0986 |
| Weighted residual factors for all reflections included in the refinement | 0.099 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.113 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 247157 (current) | 2020-01-24 | cif/ Adding structures of 1557139 via cif-deposit CGI script. |
1557139.cif |
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Users of the data should acknowledge the original authors of the
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