Information card for entry 7151679

Structure parameters

• Formula: C19 H16 N2 O6
• Calculated formula: C19 H16 N2 O6
• SMILES: c1(ccc(cc1)[C@@H]([C@@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)O)N(=O)=O.c1(ccc(cc1)[C@H]([C@H](C(=O)C)CN1C(=O)c2ccccc2C1=O)O)N(=O)=O
• Title of publication: Organocatalytic tandem three-component reaction of aldehyde, alkyl vinyl ketone, and amide: one-pot syntheses of highly functional alkenes.
• Authors of publication: Wang, De-Wei; Syu, Siang-en; Hung, Yi-Ting; Chen, Pei-yi; Lee, Chia-Jui; Chen, Ko-Wei; Chen, Yu-Jhang; Lin, Wenwei
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2011
• Journal volume: 9
• Journal issue: 2
• Pages of publication: 363 - 366
• a: 11.2975 ± 0.0002 Å
• b: 15.8036 ± 0.0003 Å
• c: 20.145 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3596.71 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P c a b
• Hall space group symbol: -P 2bc 2ac
• Residual factor for all reflections: 0.0913
• Residual factor for significantly intense reflections: 0.0543
• Weighted residual factors for significantly intense reflections: 0.1566
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No