Information card for entry 4115884

Structure parameters

• Formula: C26 H37 N O4 Si
• Calculated formula: C26 H37 N O4 Si
• SMILES: [Si@@](O[C@@H]1[C@@H](N(CCC1)C(=O)OC(C)(C)C)c1ccccc1)(O)(c1ccccc1)C(C)(C)C.[Si@](O[C@H]1[C@H](N(CCC1)C(=O)OC(C)(C)C)c1ccccc1)(O)(c1ccccc1)C(C)(C)C
• Title of publication: A Novel Aryl Migration from Silicon to Carbon: An Efficient Approach to Asymmetric Synthesis of α-Aryl β-Hydroxy Cyclic Amines and Silanols
• Authors of publication: Katsuhiko Tomooka; Atsuo Nakazaki; Takeshi Nakai
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 408 - 409
• a: 12.963 ± 0.003 Å
• b: 9.2062 ± 0.0015 Å
• c: 22.415 ± 0.01 Å
• α: 90°
• β: 102.65 ± 0.04°
• γ: 90°
• Cell volume: 2610.1 ± 1.4 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0853
• Residual factor for significantly intense reflections: 0.0758
• Weighted residual factors for significantly intense reflections: 0.1622
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.228
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No