Information card for entry 4509833

Structure parameters

• Formula: C22 H24 N2 O6
• Calculated formula: C22 H24 N2 O6
• Title of publication: One-Pot Asymmetric Nitro-Mannich/Hydroamination Cascades for the Synthesis of Pyrrolidine Derivatives: Combining Organocatalysis and Gold Catalysis.
• Authors of publication: Barber, David M.; Duriš, Andrej; Thompson, Amber L.; Sanganee, Hitesh J.; Dixon, Darren J.
• Journal of publication: ACS catalysis
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 634 - 638
• a: 9.8241 ± 0.0001 Å
• b: 9.8241 ± 0.0001 Å
• c: 37.0024 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3092.76 ± 0.07 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 170
• Hermann-Mauguin space group symbol: P 65
• Hall space group symbol: P 65
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for all reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0207
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No