Information card for entry 4026872

Structure parameters

• Formula: C22 H38 O4 Si
• Calculated formula: C22 H38 O4 Si
• SMILES: [C@@H]1(C[C@H]([C@@]2(C(=O)[C@@](C[C@@H]2C1)(C(=C)C)C(=O)OC)C)C)O[Si](C)(C)C(C)(C)C.[C@H]1(C[C@@H]([C@]2(C(=O)[C@](C[C@H]2C1)(C(=C)C)C(=O)OC)C)C)O[Si](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: 6.8505 ± 0.0004 Å
• b: 9.2832 ± 0.0005 Å
• c: 18.4577 ± 0.0011 Å
• α: 77.288 ± 0.001°
• β: 84.422 ± 0.001°
• γ: 84.451 ± 0.001°
• Cell volume: 1136.18 ± 0.11 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: 0.0368
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No