Information card for entry 7154371

Structure parameters

• Formula: C24 H38 O6 Si
• Calculated formula: C24 H38 O6 Si
• SMILES: [Si](OC[C@@]1(O)[C@H]2OC(O[C@H]2[C@@H](OCc2ccccc2)[C@@H]1C(=O)C)(C)C)(C)(C)C(C)(C)C
• Title of publication: Intramolecular direct aldol reactions of sugar 2,7-diketones: syntheses of hydroxylated cycloalka(e)nones.
• Authors of publication: Shing, Tony K. M.; Cheng, Hau M.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2015
• Journal volume: 13
• Journal issue: 16
• Pages of publication: 4795 - 4802
• a: 10.9877 ± 0.0018 Å
• b: 10.2398 ± 0.0016 Å
• c: 12.339 ± 0.002 Å
• α: 90°
• β: 110.739 ± 0.003°
• γ: 90°
• Cell volume: 1298.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1516
• Weighted residual factors for all reflections included in the refinement: 0.1848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No