Information card for entry 7152555

Structure parameters

• Formula: C47 H63 N O7 Si2
• Calculated formula: C47 H63 N O7 Si2
• SMILES: [Si](OC[C@H](OC(=O)c1ccccc1)[C@H]1OC(=O)O[C@H]([C@@H](N(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)[C@H]1O[Si](C)(C(C)(C)C)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: 10.734 ± 0.002 Å
• b: 11.293 ± 0.002 Å
• c: 11.423 ± 0.002 Å
• α: 110.54 ± 0.03°
• β: 90.72 ± 0.03°
• γ: 108.91 ± 0.03°
• Cell volume: 1214.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1701
• Residual factor for significantly intense reflections: 0.0814
• Weighted residual factors for significantly intense reflections: 0.2259
• Weighted residual factors for all reflections included in the refinement: 0.3089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.003
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No