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Information card for entry 7157307
Preview
| Coordinates | 7157307.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C35 H48 O7 |
|---|---|
| Calculated formula | C35 H48 O7 |
| Title of publication | Biomimetic total syntheses of baefrutones A-D, baeckenon B, and frutescones A, D-F. |
| Authors of publication | Hou, Ji-Qin; Yu, Jiang-Hong; Zhao, Heng; Dong, Ying-Ying; Peng, Qiu-Shi; Zhang, Bao-Bao; Wang, Hao |
| Journal of publication | Organic & biomolecular chemistry |
| Year of publication | 2020 |
| Journal volume | 18 |
| Journal issue | 6 |
| Pages of publication | 1135 - 1139 |
| a | 11.3336 ± 0.0002 Å |
| b | 16.1275 ± 0.0003 Å |
| c | 18.2549 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3336.68 ± 0.1 Å3 |
| Cell temperature | 299.99 ± 0.1 K |
| Ambient diffraction temperature | 299.99 ± 0.1 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 | 0.0551 |
| Residual factor for significantly intense reflections | 0.0462 |
| Weighted residual factors for significantly intense reflections | 0.1338 |
| Weighted residual factors for all reflections included in the refinement | 0.1448 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.057 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301861 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/15/ Each referenced PubChem compound corresponds to the full crystal structure. |
7157307.cif |
| 249035 | 2020-03-05 | cif/ Updating files of 7157307 Original log message: Adding full bibliography for 7157307.cif. |
7157307.cif |
| 246858 | 2020-01-15 | cif/ Adding structures of 7157307 via cif-deposit CGI script. |
7157307.cif |
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Users of the data should acknowledge the original authors of the
structural data.