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Information card for entry 1552663
Preview
| Coordinates | 1552663.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H20 O4 |
|---|---|
| Calculated formula | C19 H20 O4 |
| SMILES | O=C1O[C@@H]2[C@@H]3[C@@H]4[C@]1([C@@H](C2)C)CCc1c4c(c(cc(=O)c1)C)[C@H]3O |
| Title of publication | 17- nor-Cephalotane-Type Diterpenoids from Cephalotaxus fortunei. |
| Authors of publication | Ge, Zhan-Peng; Liu, Hong-Chun; Wang, Guo-Cai; Liu, Qun-Fang; Xu, Cheng-Hui; Ding, Jian; Fan, Yao-Yue; Yue, Jian-Min |
| Journal of publication | Journal of natural products |
| Year of publication | 2019 |
| Journal volume | 82 |
| Journal issue | 6 |
| Pages of publication | 1565 - 1575 |
| a | 7.095 ± 0.0002 Å |
| b | 9.6876 ± 0.0002 Å |
| c | 22.3117 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1533.56 ± 0.06 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0345 |
| Residual factor for significantly intense reflections | 0.0329 |
| Weighted residual factors for significantly intense reflections | 0.0892 |
| Weighted residual factors for all reflections included in the refinement | 0.091 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301780 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 1/55 Each referenced PubChem compound corresponds to the full crystal structure. |
1552663.cif |
| 222188 | 2019-11-04 | cif/ Adding structures of 1552663 via cif-deposit CGI script. |
1552663.cif |
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Users of the data should acknowledge the original authors of the
structural data.