Information card for entry 7152702

Structure parameters

• Formula: C10 H13 N O4
• Calculated formula: C10 H13 N O4
• SMILES: O=C1OC(OC(=O)C21N=C(CC2)C)(C)C
• 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: 26.1913 ± 0.0002 Å
• b: 7.9118 ± 0.0001 Å
• c: 23.6522 ± 0.0003 Å
• α: 90°
• β: 122.556 ± 0.0005°
• γ: 90°
• Cell volume: 4131.06 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections: 0.1314
• Weighted residual factors for significantly intense reflections: 0.1106
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9355
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No