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Information card for entry 7227446
Preview
| Coordinates | 7227446.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | sd310-42 |
|---|---|
| Formula | C21 H32 O4 |
| Calculated formula | C21 H32 O4 |
| SMILES | O[C@@H]1[C@H]2C(CCC[C@@]32C2=C([C@H]1O[C@H]3OC)[C@@H](O)[C@](CC2)(C=C)C)(C)C |
| Title of publication | Wentinoids A–F, six new isopimarane diterpenoids from Aspergillus wentii SD-310, a deep-sea sediment derived fungus |
| Authors of publication | Li, Xin; Li, Xiao-Dong; Li, Xiao-Ming; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui |
| Journal of publication | RSC Adv. |
| Year of publication | 2017 |
| Journal volume | 7 |
| Journal issue | 8 |
| Pages of publication | 4387 |
| a | 8.858 ± 0.0006 Å |
| b | 12.4336 ± 0.0007 Å |
| c | 17.542 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1932 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0894 |
| Residual factor for significantly intense reflections | 0.0567 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1289 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301865 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/22/ Each referenced PubChem compound corresponds to the full crystal structure. |
7227446.cif |
| 190582 | 2017-01-17 | cif/ Adding structures of 7227446, 7227447, 7227448 via cif-deposit CGI script. |
7227446.cif |
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Users of the data should acknowledge the original authors of the
structural data.