Information card for entry 4101745

Structure parameters

• Common name: frowh01
• Formula: C23 H38 O4 Si
• Calculated formula: C23 H38 O4 Si
• SMILES: [Si](O[C@@]12OC[C@@]([C@]34OC(=O)C[C@]13C(=C)CC4)([C@@H]2C)C)(C(C)C)(C(C)C)C(C)C.[Si](O[C@]12OC[C@]([C@@]34OC(=O)C[C@@]13C(=C)CC4)([C@H]2C)C)(C(C)C)(C(C)C)C(C)C
• Title of publication: Total Synthesis of (±)-Merrilactone A
• Authors of publication: He, Wei; Huang, Jie; Sun, Xiufeng; Frontier, Alison J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Journal issue: 1
• Pages of publication: 300 - 308
• a: 14.872 ± 0.003 Å
• b: 13.467 ± 0.003 Å
• c: 22.558 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4517.9 ± 1.7 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.137
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No