Information card for entry 1503332

Structure parameters

• Formula: C19 H17 Cl N2 O6
• Calculated formula: C19 H17 Cl N2 O6
• Title of publication: Enantioselective conjugate addition of oximes to trisubstituted β-nitroacrylates: an organocatalytic approach to β(2,2)-amino acid derivatives.
• Authors of publication: Zhang, Fu-Gen; Yang, Qing-Qing; Xuan, Jun; Lu, Hai-Hua; Duan, Shu-Wen; Chen, Jia-Rong; Xiao, Wen-Jing
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 24
• Pages of publication: 5636 - 5639
• a: 8.3959 ± 0.0009 Å
• b: 20.777 ± 0.002 Å
• c: 11.9679 ± 0.0013 Å
• α: 90°
• β: 105.102 ± 0.002°
• γ: 90°
• Cell volume: 2015.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0725
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1739
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No