Information card for entry 4020061

Structure parameters

• Chemical name: Methyl (2R,7aR)-3-Oxo-2-{[(1R)-1-phenylethyl]amino} tetrahydro-1H-pyrrolizine-7a(5H)-carboxylate
• Formula: C17 H22 N2 O3
• Calculated formula: C17 H22 N2 O3
• Authors of publication: Franca M. Cordero; Federica Pisaneschi; Karina Meschini Batista; Silvia Valenza; Fabrizio Machetti; Alberto Brandi
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2005
• Journal volume: 70
• Pages of publication: 856 - 867
• a: 6.527 ± 0.001 Å
• b: 10.719 ± 0.001 Å
• c: 23.553 ± 0.003 Å
• α: 90 ± 0.007°
• β: 90 ± 0.007°
• γ: 90 ± 0.008°
• Cell volume: 1647.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.1089
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No