Information card for entry 4102687

Structure parameters

• Formula: C23 H40 O4 Si
• Calculated formula: C23 H40 O4 Si
• SMILES: [Si](OCCC[C@H]([C@@H]1[C@]2(CC[C@@H]3OC(=O)C[C@@H]3[C@H]2C(=O)C1)C)C)(C(C)(C)C)(C)C.[Si](OCCC[C@@H]([C@H]1[C@@]2(CC[C@H]3OC(=O)C[C@H]3[C@@H]2C(=O)C1)C)C)(C(C)(C)C)(C)C
• Title of publication: Total Synthesis of (\±)-Aplykurodinone-1: Traceless Stereochemical Guidance
• Authors of publication: Yandong Zhang; Samuel J. Danishefsky
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 9928 - 9928
• a: 9.9972 ± 0.0006 Å
• b: 6.5178 ± 0.0004 Å
• c: 35.853 ± 0.002 Å
• α: 90°
• β: 92.265 ± 0.001°
• γ: 90°
• Cell volume: 2334.3 ± 0.2 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No