Information card for entry 7160488

Structure parameters

• Formula: C21 N2 O4
• Calculated formula: C21 N2 O4
• Title of publication: A copper-catalyzed tandem cyclization reaction of <i>N</i>-acyl enamines and electron-deficient alkynes: direct synthesis of alkynyl substituted pyridines.
• Authors of publication: Gao, Ying; Peng, Ju-Yin; Zhang, Yu-Na; Zhao, Xiao-Liang; Zhao, Yu-Long
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 18
• Pages of publication: 4441 - 4445
• a: 8.6618 ± 0.0018 Å
• b: 9.7333 ± 0.0019 Å
• c: 12.207 ± 0.003 Å
• α: 96.9 ± 0.01°
• β: 104.419 ± 0.011°
• γ: 106.168 ± 0.01°
• Cell volume: 937.2 ± 0.4 ų
• Cell temperature: 278 ± 2 K
• Ambient diffraction temperature: 278.4 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1056
• Residual factor for significantly intense reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.2639
• Weighted residual factors for all reflections included in the refinement: 0.2858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No