Information card for entry 4038087

Structure parameters

• Formula: C25 H42 O5 Si
• Calculated formula: C25 H42 O5 Si
• SMILES: [C@@]1([C@@H]2C[C@@H]3COC(O[C@@H]3[C@H]2O[Si](C)(C)C(C)(C)C)(C)C)([C@H](C)CC(=O)C(=C1)C(=C)C)O.[C@]1([C@H]2C[C@H]3COC(O[C@H]3[C@@H]2O[Si](C)(C)C(C)(C)C)(C)C)([C@@H](C)CC(=O)C(=C1)C(=C)C)O
• 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: 9.5936 ± 0.0012 Å
• b: 11.1608 ± 0.0015 Å
• c: 14.6705 ± 0.0018 Å
• α: 69.414 ± 0.007°
• β: 79.03 ± 0.007°
• γ: 68.15 ± 0.007°
• Cell volume: 1361.7 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0658
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No