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Information card for entry 7226224
Preview
| Coordinates | 7226224.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H28 O4 |
|---|---|
| Calculated formula | C19 H28 O4 |
| SMILES | O1C[C@H](O)[C@]2([C@@H]1c1c(CC2)c2c(cc1O)C(CCC2)(C)C)C.O |
| Title of publication | 20-Nor-isopimarane cycloethers from the deep-sea sediment-derived fungus Aspergillus wentii SD-310 |
| Authors of publication | Li, Xin; Li, Xiao-Ming; Li, Xiao-Dong; Xu, Gang-Ming; Liu, Yang; Wang, Bin-Gui |
| Journal of publication | RSC Adv. |
| Year of publication | 2016 |
| Journal volume | 6 |
| Journal issue | 79 |
| Pages of publication | 75981 |
| a | 6.2051 ± 0.0006 Å |
| b | 8.201 ± 0.0008 Å |
| c | 34.011 ± 0.003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1730.8 ± 0.3 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 | 0.083 |
| Residual factor for significantly intense reflections | 0.0584 |
| Weighted residual factors for significantly intense reflections | 0.1321 |
| Weighted residual factors for all reflections included in the refinement | 0.1522 |
| 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 |
|---|---|---|---|
| 185750 (current) | 2016-08-11 | cif/ Adding structures of 7226223, 7226224, 7226225 via cif-deposit CGI script. |
7226224.cif |
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Users of the data should acknowledge the original authors of the
structural data.