Information card for entry 4122595

Structure parameters

• Formula: C34 H31 N O7
• Calculated formula: C34 H31 N O7
• Title of publication: Asymmetric Mannich synthesis of α-amino esters by anion-binding catalysis.
• Authors of publication: Wasa, Masayuki; Liu, Richard Y.; Roche, Stéphane P; Jacobsen, Eric N.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 37
• Pages of publication: 12872 - 12875
• a: 5.2357 ± 0.0006 Å
• b: 45.397 ± 0.005 Å
• c: 11.9994 ± 0.0013 Å
• α: 90°
• β: 94.399 ± 0.006°
• γ: 90°
• Cell volume: 2843.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0328
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No