Information card for entry 4038091

Structure parameters

• Formula: C24 H42 O5 Si
• Calculated formula: C24 H42 O5 Si
• SMILES: [Si](O[C@H]1[C@@H]2OC(OC[C@@H]2C[C@@H]1[C@]1(O)[C@H](CC(=O)C[C@H]1C=C)C)(C)C)(C(C)(C)C)(C)C.[Si](O[C@@H]1[C@H]2OC(OC[C@H]2C[C@H]1[C@@]1(O)[C@@H](CC(=O)C[C@@H]1C=C)C)(C)C)(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: 8.2593 ± 0.0009 Å
• b: 28.326 ± 0.003 Å
• c: 10.769 ± 0.0012 Å
• α: 90°
• β: 90.695 ± 0.001°
• γ: 90°
• Cell volume: 2519.3 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 4
• 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: 0.0443
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0925
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No