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Information card for entry 1554407
Preview
| Coordinates | 1554407.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C23 H28 O6 |
|---|---|
| Calculated formula | C23 H28 O6 |
| SMILES | O=C1O[C@H]2[C@H]3C(CCC[C@@]13c1c([C@H]2O)cc(c(O)c(c1=O)C(=O)C)C(C)C)(C)C |
| Title of publication | Biomimetic syntheses of C23 terpenoids: structural revision of salyunnanin A and confirmation of hassanane |
| Authors of publication | Zhang, Xun; Li, Zhongle; Yong, Huaya; Xie, Zhixiang |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2018 |
| Journal volume | 5 |
| Journal issue | 23 |
| Pages of publication | 3469 |
| a | 7.3005 ± 0.0004 Å |
| b | 12.1224 ± 0.0005 Å |
| c | 11.9121 ± 0.0006 Å |
| α | 90° |
| β | 105.259 ± 0.006° |
| γ | 90° |
| Cell volume | 1017.05 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0514 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.1379 |
| Weighted residual factors for all reflections included in the refinement | 0.1395 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 237204 (current) | 2019-11-24 | cif/ Adding structures of 1554407 via cif-deposit CGI script. |
1554407.cif |
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Users of the data should acknowledge the original authors of the
structural data.