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Information card for entry 1557916
Preview
| Coordinates | 1557916.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H30 O3 |
|---|---|
| Calculated formula | C20 H30 O3 |
| SMILES | O[C@@H]1CC(=C[C@H]2[C@]34C(=O)C[C@@H]([C@]3(CC[C@]4(C)[C@@H]12)C)C(C)C)CO |
| Title of publication | Psathyrins: Antibacterial Diterpenoids from <i>Psathyrella candolleana</i>. |
| Authors of publication | Liu, Ya-Pei; Dai, Quan; Wang, Wen-Xuan; He, Juan; Li, Zheng-Hui; Feng, Tao; Liu, Ji-Kai |
| Journal of publication | Journal of natural products |
| Year of publication | 2020 |
| a | 9.0597 ± 0.0003 Å |
| b | 9.4554 ± 0.0004 Å |
| c | 21.1518 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1811.93 ± 0.12 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 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 | 0.0393 |
| Residual factor for significantly intense reflections | 0.0377 |
| Weighted residual factors for significantly intense reflections | 0.0982 |
| Weighted residual factors for all reflections included in the refinement | 0.1004 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 251181 (current) | 2020-04-25 | cif/ Adding structures of 1557916 via cif-deposit CGI script. |
1557916.cif |
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Users of the data should acknowledge the original authors of the
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