Information card for entry 4117641

Structure parameters

• Formula: C52 H48 N8 O8 S4
• Calculated formula: C52 H48 N8 O8 S4
• Title of publication: Enantioselective Construction of Pyrrolidines by Palladium-Catalyzed Asymmetric [3 + 2] Cycloaddition of Trimethylenemethane with Imines
• Authors of publication: Barry M. Trost; Steven M. Silverman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 4941 - 4954
• a: 7.7604 ± 0.0013 Å
• b: 9.8685 ± 0.0017 Å
• c: 18.125 ± 0.003 Å
• α: 90°
• β: 114.522 ± 0.006°
• γ: 90°
• Cell volume: 1262.9 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0966
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No