Information card for entry 4511893

Structure parameters

• Formula: C19 H19 N3 O3
• Calculated formula: C19 H19 N3 O3
• SMILES: C1(=C([O-])CCCC1=O)c1c(c2ccccc2)[nH+]c2n1ccc(C)n2.O
• Title of publication: Three-Component Reaction of a 2-Aminoazine, a 2-Oxoaldehyde, and a Cyclic 1,3-Dicarbonyl Compound for the Synthesis of Imidazo[1,2-a]azine Derivatives.
• Authors of publication: Peshkov, Vsevolod A.; Peshkov, Anatoly A.; Pereshivko, Olga P.; Van Hecke, Kristof; Zamigaylo, Lali L.; Van der Eycken, Erik V.; Gorobets, Nikolay Yu
• Journal of publication: ACS combinatorial science
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 10
• Pages of publication: 535 - 542
• a: 8.7561 ± 0.0009 Å
• b: 9.8293 ± 0.0008 Å
• c: 10.7014 ± 0.0009 Å
• α: 102.747 ± 0.007°
• β: 100.48 ± 0.008°
• γ: 106.662 ± 0.008°
• Cell volume: 830.46 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 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: 0.0692
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No