Information card for entry 1503404

Structure parameters

• Formula: C22 H22 N2 O4
• Calculated formula: C22 H22 N2 O4
• SMILES: c1(c(cc2[C@H]3[C@@H]4C(=O)N(C(=O)[C@@H]4CN3CCc2c1)c1ccccc1)OC)OC.c1(c(cc2[C@@H]3[C@H]4C(=O)N(C(=O)[C@H]4CN3CCc2c1)c1ccccc1)OC)OC
• Title of publication: Highly diastereoselective synthesis of substituted pyrrolidines using a sequence of azomethine ylide cycloaddition and nucleophilic cyclization.
• Authors of publication: Bélanger, Guillaume; Darsigny, Véronique; Doré, Michaël; Lévesque, François
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1396 - 1399
• a: 8.95 ± 0.003 Å
• b: 14.718 ± 0.003 Å
• c: 15.388 ± 0.004 Å
• α: 102.52 ± 0.02°
• β: 92.08 ± 0.03°
• γ: 105.12 ± 0.02°
• Cell volume: 1901 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.2189
• Residual factor for significantly intense reflections: 0.0845
• Weighted residual factors for significantly intense reflections: 0.2134
• Weighted residual factors for all reflections included in the refinement: 0.2744
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 1.54176 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No