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Information card for entry 7242080
Preview
| Coordinates | 7242080.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C38 H42 O9 |
|---|---|
| Calculated formula | C38 H42 O9 |
| SMILES | c1ccccc1C(=O)O[C@@H]1C[C@@H]2[C@H](C2(C)C)/C=C(C)\C(=O)[C@]2(C[C@H](C)[C@@H]([C@@H]2[C@H](C1=C)OC(=O)C)OC(=O)c1ccccc1)OC(=O)C |
| Title of publication | Two lathyrane diterpenoid stereoisomers containing an unusual trans-gem-dimethylcyclopropane from the seeds of Euphorbia lathyris |
| Authors of publication | Li, Linwei; Huang, Jianan; Lyu, Hui; Guan, Fuqin; Li, Pirui; Tian, Mei; Xu, Shu; Zhao, Xingzeng; Liu, Fei; Paetz, Christian; Feng, Xu; Chen, Yu |
| Journal of publication | RSC Advances |
| Year of publication | 2021 |
| Journal volume | 11 |
| Journal issue | 5 |
| Pages of publication | 3183 - 3189 |
| a | 9.14 ± 0.0004 Å |
| b | 9.3542 ± 0.0004 Å |
| c | 10.6916 ± 0.0005 Å |
| α | 104.278 ± 0.002° |
| β | 90.57 ± 0.002° |
| γ | 91.63 ± 0.002° |
| Cell volume | 885.37 ± 0.07 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 1 |
| Hermann-Mauguin space group symbol | P 1 |
| Hall space group symbol | P 1 |
| Residual factor for all reflections | 0.0343 |
| Residual factor for significantly intense reflections | 0.0336 |
| Weighted residual factors for significantly intense reflections | 0.0954 |
| Weighted residual factors for all reflections included in the refinement | 0.0963 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301870 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/24/ Each referenced PubChem compound corresponds to the full crystal structure. |
7242080.cif |
| 260984 | 2021-01-15 | cif/ Adding structures of 7242080 via cif-deposit CGI script. |
7242080.cif |
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Users of the data should acknowledge the original authors of the
structural data.