Information card for entry 7160839

Structure parameters

• Formula: C20 H19 N O2
• Calculated formula: C20 H19 N O2
• Title of publication: Synthesis of chiral α-alkynyl-α-hydroxyamides by enantioselective alkynylation of α-keto amides.
• Authors of publication: Prieto, Elena; Andrés, Celia; Nieto, Javier
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 46
• Pages of publication: 10596 - 10605
• a: 8.2975 ± 0.0002 Å
• b: 11.878 ± 0.0003 Å
• c: 16.8853 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1664.18 ± 0.07 ų
• Cell temperature: 298.15 K
• Ambient diffraction temperature: 298.15 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: 0.0416
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No