Information card for entry 7153214

Structure parameters

• Formula: C42 H55 N O3 Si
• Calculated formula: C42 H55 N O3 Si
• SMILES: C1CCCCC1[C@@H](C[C@@H](C(OC)OC)N(Cc1ccccc1)Cc1ccccc1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1.C1CCCCC1[C@H](C[C@H](C(OC)OC)N(Cc1ccccc1)Cc1ccccc1)O[Si](C(C)(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Diastereoselective oxidative α-amination of aliphatic aldehydes catalyzed by iodine: synthesis of syn-γ-hydroxy-α-amino acetals.
• Authors of publication: Zhang, Yun-Xiao; Zhang, An-Qi; Tian, Jie-Sheng; Loh, Teck-Peng
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2013
• Journal volume: 11
• Journal issue: 48
• Pages of publication: 8387 - 8394
• a: 9.7071 ± 0.0002 Å
• b: 11.1189 ± 0.0002 Å
• c: 18.7507 ± 0.0003 Å
• α: 81.223 ± 0.001°
• β: 76.878 ± 0.001°
• γ: 72.985 ± 0.001°
• Cell volume: 1876.61 ± 0.06 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No