Information card for entry 7152552

Structure parameters

• Formula: C34 H52 O8 Si2
• Calculated formula: C34 H52 O8 Si2
• SMILES: [Si](OC[C@H](OC(=O)c1ccccc1)[C@@H]1[C@H](O[Si](C)(C)C(C)(C)C)[C@H](OC(=O)O1)[C@H](OCc1ccccc1)C)(C)(C)C(C)(C)C
• Title of publication: Double diastereoselection in anti aldol reactions mediated by dicyclohexylchloroborane between an l-erythrulose derivative and chiral aldehydes.
• Authors of publication: Díaz-Oltra, Santiago; Ruiz, Purificación; Falomir, Eva; Murga, Juan; Carda, Miguel; Marco, J. Alberto
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 34
• Pages of publication: 6937 - 6944
• a: 14.316 ± 0.003 Å
• b: 15.96 ± 0.004 Å
• c: 16.397 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3746.4 ± 1.5 ų
• Cell temperature: 571 ± 2 K
• Ambient diffraction temperature: 571 ± 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: 0.1459
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.2038
• Weighted residual factors for all reflections included in the refinement: 0.2354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No