Information card for entry 7152554

Structure parameters

• Formula: C46 H65 N O6 Si2
• Calculated formula: C46 H65 N O6 Si2
• SMILES: [Si](O[C@@H]([C@H](O)[C@@H](OC(=O)c1ccccc1)CO[Si](C)(C(C)(C)C)C)[C@H](O)[C@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1)(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: 10.1116 ± 0.001 Å
• b: 16.5521 ± 0.0016 Å
• c: 13.8615 ± 0.0013 Å
• α: 90°
• β: 99.705 ± 0.003°
• γ: 90°
• Cell volume: 2286.8 ± 0.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0864
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1052
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No