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Information card for entry 4038084
Preview
Coordinates | 4038084.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C23 H36 O6 |
---|---|
Calculated formula | C23 H36 O6 |
SMILES | O1C(OC[C@H]2[C@@H]1[C@H](O)[C@H](C2)[C@]1(O)[C@H](C[C@@]2(OC(=O)C)C([C@@H]2[C@H]1C=C)(C)C)C)(C)C.O1C(OC[C@@H]2[C@H]1[C@@H](O)[C@@H](C2)[C@@]1(O)[C@@H](C[C@]2(OC(=O)C)C([C@H]2[C@@H]1C=C)(C)C)C)(C)C |
Title of publication | Total Synthesis of Prostratin, a Bioactive Tigliane Diterpenoid: Access to Multi-Stereocenter Cyclohexanes from a Phenol. |
Authors of publication | Tong, Guanghu; Ding, Zhengwei; Liu, Zhi; Ding, You-Song; Xu, Liang; Zhang, Hailong; Li, Pengfei |
Journal of publication | The Journal of organic chemistry |
Year of publication | 2020 |
Journal volume | 85 |
Journal issue | 7 |
Pages of publication | 4813 - 4837 |
a | 7.3636 ± 0.001 Å |
b | 27.079 ± 0.004 Å |
c | 11.2689 ± 0.0015 Å |
α | 90° |
β | 95.314 ± 0.002° |
γ | 90° |
Cell volume | 2237.3 ± 0.5 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296.15 K |
Number of distinct elements | 3 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0665 |
Residual factor for significantly intense reflections | 0.0428 |
Weighted residual factors for significantly intense reflections | 0.0891 |
Weighted residual factors for all reflections included in the refinement | 0.0989 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4038084.html
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Users of the data should acknowledge the original authors of the
structural data.