Information card for entry 4104129

Structure parameters

• Common name: 08237b
• Formula: C12 H13 N O6
• Calculated formula: C12 H13 N O6
• SMILES: O1C(=O)[C@@H](O)[C@@H](O)[C@@H]1[C@H](c1ccccc1)CN(=O)=O
• 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: 6.064 ± 0.0009 Å
• b: 10.0246 ± 0.0015 Å
• c: 19.24 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1169.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0337
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0785
• 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: No
• Has Fobs: No