Information card for entry 7124561

Structure parameters

• Formula: C15 H14 N4 O2
• Calculated formula: C15 H14 N4 O2
• Title of publication: A gold-catalysed imine-propargylamine cascade sequence: synthesis of 3-substituted-2,5-dimethylpyrazines and the reaction mechanism.
• Authors of publication: Alcaide, Benito; Almendros, Pedro; Alonso, José M; Fernández, Israel; Gómez-Campillos, Gonzalo; Torres, M. Rosario
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2014
• Journal volume: 50
• Journal issue: 35
• Pages of publication: 4567 - 4570
• a: 8.2193 ± 0.0012 Å
• b: 8.2471 ± 0.0012 Å
• c: 11.2596 ± 0.0016 Å
• α: 103.76 ± 0.003°
• β: 91.764 ± 0.003°
• γ: 110.78 ± 0.003°
• Cell volume: 687.51 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No