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Information card for entry 7226223
Preview
| Coordinates | 7226223.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H26 O4 |
|---|---|
| Calculated formula | C19 H26 O4 |
| SMILES | O[C@H]1CCc2c(C1(C)C)cc(O)c1c2CC[C@]2([C@@H]1OC[C@H]2O)C |
| 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 | 20.3794 ± 0.0007 Å |
| b | 9.1072 ± 0.0003 Å |
| c | 9.1422 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1696.79 ± 0.1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0454 |
| Residual factor for significantly intense reflections | 0.0421 |
| Weighted residual factors for significantly intense reflections | 0.1064 |
| Weighted residual factors for all reflections included in the refinement | 0.1087 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| 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. |
7226223.cif |
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Users of the data should acknowledge the original authors of the
structural data.