Information card for entry 4104128

Structure parameters

• Formula: C12 H10 Cl N O4
• Calculated formula: C12 H10 Cl N O4
• SMILES: Clc1ccc([C@@H]([C@@H]2OC(=O)C=C2)CN(=O)=O)cc1
• Title of publication: Direct Asymmetric Michael Addition to Nitroalkenes: Vinylogous Nucleophilicity under Dinuclear Zinc Catalysis
• Authors of publication: Barry M. Trost; Julien Hitce
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 4572 - 4573
• a: 6.2981 ± 0.0014 Å
• b: 7.551 ± 0.0016 Å
• c: 25.114 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1194.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0706
• 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