Information card for entry 4026871

Structure parameters

• Formula: C21 H34 O4 Si
• Calculated formula: C21 H34 O4 Si
• SMILES: [Si](O[C@H]1C[C@H]([C@@]2(C(=O)[C@@]3(C(=C)COC3=O)C[C@@H]2C1)C)C)(C)(C)C(C)(C)C.[Si](O[C@@H]1C[C@@H]([C@]2(C(=O)[C@]3(C(=C)COC3=O)C[C@H]2C1)C)C)(C)(C)C(C)(C)C
• Title of publication: Stereoselective Total Synthesis of (\±)-Peribysin E
• Authors of publication: Hung-Yi Lee; Chin-Kang Sha
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2012
• Journal volume: 77
• Pages of publication: 598 - 605
• a: 6.5778 ± 0.0009 Å
• b: 9.9611 ± 0.0014 Å
• c: 16.789 ± 0.002 Å
• α: 85.436 ± 0.007°
• β: 84.148 ± 0.007°
• γ: 83.784 ± 0.006°
• Cell volume: 1085.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1563
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2162
• Weighted residual factors for all reflections included in the refinement: 0.2588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No