Information card for entry 1502599

Structure parameters

• Formula: C21 H23 N3 O5
• Calculated formula: C21 H23 N3 O5
• Title of publication: Diastereoselective synthesis of 1,3,5-trisubstituted 4-nitropyrrolidin-2-ones via a nitro-Mannich/lactamization cascade.
• Authors of publication: Pelletier, Sophie M.-C.; Ray, Peter C.; Dixon, Darren J.
• Journal of publication: Organic letters
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 6406 - 6409
• a: 9.1434 ± 0.0015 Å
• b: 13.852 ± 0.002 Å
• c: 16.964 ± 0.003 Å
• α: 94.441 ± 0.009°
• β: 102.125 ± 0.008°
• γ: 105.899 ± 0.008°
• Cell volume: 1999.4 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.067
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No