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Information card for entry 1554899
Preview
| Coordinates | 1554899.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H36 O3 |
|---|---|
| Calculated formula | C24 H36 O3 |
| SMILES | O=C1C[C@]2(C[C@H]3[C@@H](CC[C@@]45[C@@H](CC[C@@H]4[C@@]3(OC5=O)C[C@H]2[C@@H]1C(C)C)C)C)C |
| Title of publication | Asymmetric total synthesis of (+)-astellatol and (−)-astellatene |
| Authors of publication | Zhao, Nan; Xie, Shengling; Tian, Peilin; Tong, Rongbiao; Ning, Chengqing; Xu, Jing |
| Journal of publication | Organic Chemistry Frontiers |
| Year of publication | 2019 |
| Journal volume | 6 |
| Journal issue | 12 |
| Pages of publication | 2014 |
| a | 8.9194 ± 0.0008 Å |
| b | 12.8315 ± 0.0012 Å |
| c | 18.5057 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2118 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293.15 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 | 0.0724 |
| Residual factor for significantly intense reflections | 0.0659 |
| Weighted residual factors for significantly intense reflections | 0.1672 |
| Weighted residual factors for all reflections included in the refinement | 0.1734 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 238189 (current) | 2019-11-24 | cif/ Adding structures of 1554899 via cif-deposit CGI script. |
1554899.cif |
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Users of the data should acknowledge the original authors of the
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