Information card for entry 7112037

Structure parameters

• Chemical name: Organic compound, XXU
• Formula: C20 H19 N O3
• Calculated formula: C20 H19 N O3
• Title of publication: Expedient access to substituted 3-amino-2-cyclopentenones by dirhodium-catalyzed [3+2]-annulation of silylated ketene imines and enoldiazoacetates
• Authors of publication: Xichen Xu; John S. Leszczynski; Savannah M. Mason; Peter Y. Zavalij; Michael P. Doyle
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2462
• a: 10.4622 ± 0.0011 Å
• b: 12.7512 ± 0.0013 Å
• c: 13.6245 ± 0.0014 Å
• α: 102.777 ± 0.0016°
• β: 103.965 ± 0.0016°
• γ: 102.101 ± 0.0016°
• Cell volume: 1652.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No