Information card for entry 4038085

Structure parameters

• Formula: C27 H46 O5 Si
• Calculated formula: C27 H46 O5 Si
• SMILES: [C@H]1([C@H](C(=O)C[C@@H]([C@]1([C@H]1C[C@@H]2[C@H]([C@@H]1O[Si](C)(C)C(C)(C)C)OC(C)(C)OC2)O)C)C(=C)C)C=C.[C@@H]1([C@@H](C(=O)C[C@H]([C@@]1([C@@H]1C[C@H]2[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)OC(C)(C)OC2)O)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: 10.142 ± 0.003 Å
• b: 11.29 ± 0.003 Å
• c: 13.629 ± 0.003 Å
• α: 83.009 ± 0.003°
• β: 73.442 ± 0.003°
• γ: 70.541 ± 0.003°
• Cell volume: 1409.8 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0461
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.1144
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No