Information card for entry 7159844

Structure parameters

• Formula: C23 H42 O6 Si
• Calculated formula: C23 H42 O6 Si
• SMILES: [Si](O[C@@H]1[C@@]2(OC(O[C@@H]2C2=CO[C@@H](OCC)C[C@H]2C1(C)C)(C)C)CO)(C(C)(C)C)(C)C
• Title of publication: Asymmetric synthesis of the fully functionalized six-membered A-ring of siphonol A.
• Authors of publication: Sun, Ying; Fu, Shaomin; Liu, Bo
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2024
• Journal volume: 22
• Journal issue: 15
• Pages of publication: 2958 - 2962
• a: 10.7582 ± 0.0002 Å
• b: 12.2091 ± 0.0002 Å
• c: 18.8089 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2470.51 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0415
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.1046
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No