Information card for entry 4518794

Structure parameters

• Formula: C16 H12 N4 O2
• Calculated formula: C16 H12 N4 O2
• Title of publication: TFA-catalyzed Q-Tube Reactor-Assisted Strategy for the Synthesis of Pyrido[1,2-<i>b</i>][1,2,4]triazine and Pyrido[1',2':2,3][1,2,4]triazino[5,6-<i>b</i>]indole Derivatives.
• Authors of publication: Ibrahim, Hamada Mohamed; Behbehani, Haider
• Journal of publication: ACS omega
• Year of publication: 2021
• Journal volume: 6
• Journal issue: 24
• Pages of publication: 16086 - 16099
• a: 7.8674 ± 0.0012 Å
• b: 10.8182 ± 0.0015 Å
• c: 16.305 ± 0.003 Å
• α: 94.407 ± 0.007°
• β: 91.928 ± 0.007°
• γ: 97.087 ± 0.007°
• Cell volume: 1371.8 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No