Information card for entry 7152556

Structure parameters

• Formula: C40 H61 N O6 Si2
• Calculated formula: C40 H61 N O6 Si2
• SMILES: [Si](OC[C@H](OC(=O)c1ccccc1)[C@@H](O)[C@H](O[Si](C)(C)C(C)(C)C)[C@H](O)[C@H](N(Cc1ccccc1)Cc1ccccc1)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: 7.4889 ± 0.0015 Å
• b: 12.379 ± 0.003 Å
• c: 45.45 ± 0.009 Å
• α: 90°
• β: 90.04 ± 0.03°
• γ: 90°
• Cell volume: 4213.4 ± 1.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.2755
• Residual factor for significantly intense reflections: 0.1152
• Weighted residual factors for significantly intense reflections: 0.281
• Weighted residual factors for all reflections included in the refinement: 0.3674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No