Information card for entry 4121719

Structure parameters

• Chemical name: Dimethyl-2-(benzyloxy)-4-(2,5-dioxopyrrolidin-1-yl) cyclopentane-1,1-dicarboxylate
• Formula: C20 H23 N O7
• Calculated formula: C20 H23 N O7
• Title of publication: Dynamic kinetic asymmetric [3 + 2] annulation reactions of aminocyclopropanes.
• Authors of publication: de Nanteuil, Florian; Serrano, Eloisa; Perrotta, Daniele; Waser, Jerome
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 17
• Pages of publication: 6239 - 6242
• a: 9.6339 ± 0.0008 Å
• b: 10.5744 ± 0.0007 Å
• c: 9.9361 ± 0.0009 Å
• α: 90°
• β: 92.246 ± 0.007°
• γ: 90°
• Cell volume: 1011.44 ± 0.14 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 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: 0.0339
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No