Information card for entry 7152700

Structure parameters

• Formula: C20 H20 N2 O3
• Calculated formula: C20 H20 N2 O3
• Title of publication: Rapid synthesis of substituted pyrrolines and pyrrolidines by nucleophilic ring closure at activated oximes.
• Authors of publication: Chandan, Nandkishor; Thompson, Amber L.; Moloney, Mark G.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 39
• Pages of publication: 7863 - 7868
• a: 17.6423 ± 0.0005 Å
• b: 7.4224 ± 0.0002 Å
• c: 13.8157 ± 0.0004 Å
• α: 90°
• β: 109.299 ± 0.0012°
• γ: 90°
• Cell volume: 1707.48 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for all reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0804
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No