Information card for entry 7154803

Structure parameters

• Formula: C19 H24 N2 O8
• Calculated formula: C19 H24 N2 O8
• SMILES: c1(ccccc1[C@H](CN(=O)=O)[C@]1(C(=O)OCC1)C(=O)OC)NC(=O)OC(C)(C)C
• Title of publication: Rawal's catalyst as an effective stimulant for the highly asymmetric Michael addition of β-keto esters to functionally rich nitro-olefins.
• Authors of publication: Suresh Kumar, A.; Prabhakar Reddy, T.; Madhavachary, R.; Ramachary, Dhevalapally B.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 24
• Pages of publication: 5494 - 5499
• a: 7.824 ± 0.0005 Å
• b: 13.359 ± 0.0005 Å
• c: 20.5454 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2147.42 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0967
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1147
• Weighted residual factors for all reflections included in the refinement: 0.1372
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No