Information card for entry 4104591

Structure parameters

• Formula: C30 H35 N O3
• Calculated formula: C30 H35 N O3
• SMILES: CC1(OC([C@@H](N1C(=O)C[C@](O)(c1ccccc1)Cc1ccccc1)Cc1ccccc1)(C)C)C
• Title of publication: Amide Enolate Additions to Acylsilanes: In Situ Generation of Unusual and Stereoselective Homoenolate Equivalents
• Authors of publication: Robert B. Lettan; Chris V. Galliford; Chase C. Woodward; Karl A. Scheidt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 8805 - 8814
• a: 11.3593 ± 0.0011 Å
• b: 9.6066 ± 0.0009 Å
• c: 12.1731 ± 0.0012 Å
• α: 90°
• β: 109.728 ± 0.002°
• γ: 90°
• Cell volume: 1250.4 ± 0.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No