Information card for entry 1507364

Structure parameters

• Formula: C21 H27 N O3 Si
• Calculated formula: C21 H27 N O3 Si
• SMILES: [Si](O[C@H](N1C(=O)O[C@H]([C@H]1c1ccccc1)c1ccccc1)CC)(C)(C)C
• Title of publication: Stereoselective formation of N-acyliminium ion via chiral N,O-acetal TMS ether and its application to the synthesis of beta-amino acids.
• Authors of publication: Shin, Dong-Yun; Jung, Jae-Kyung; Seo, Seung-Yong; Lee, Yong-Sil; Paek, Seung-Mann; Chung, Young Keun; Shin, Dong Mok; Suh, Young-Ger
• Journal of publication: Organic letters
• Year of publication: 2003
• Journal volume: 5
• Journal issue: 20
• Pages of publication: 3635 - 3638
• a: 9.2287 ± 0.0003 Å
• b: 9.9625 ± 0.0003 Å
• c: 23.3118 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2143.31 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0855
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No