Information card for entry 4022348

Structure parameters

• Chemical name: (2S,3R) Ethyl 2-( (diphenylmethylene)amino)-3-phenyl-3- (p-toluensulphonylamino) propanoate
• Formula: C31 H30 N2 O4 S
• Calculated formula: C31 H30 N2 O4 S
• Title of publication: Catalytic Asymmetric Mannich Reactions of Glycine Derivatives with Imines. A New Approach to Optically Active α,β-Diamino Acid Derivatives
• Authors of publication: Luca Bernardi; Aase S. Gothelf; Rita G. Hazell; Karl Anker Jørgensen
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2003
• Journal volume: 68
• Pages of publication: 2583 - 2591
• a: 11.099 ± 0.001 Å
• b: 15.508 ± 0.002 Å
• c: 16.21 ± 0.002 Å
• α: 91.344 ± 0.004°
• β: 100.149 ± 0.004°
• γ: 92.319 ± 0.004°
• Cell volume: 2743 ± 1 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 2.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No