Information card for entry 4518800

Structure parameters

• Common name: Hamada_GH59_13_09_17
• Formula: C20 H11 N5
• Calculated formula: C20 H11 N5
• SMILES: n1c2ccccc2c2c1nc1c(c(c3ccccc3)ccn1n2)C#N
• 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: 7.0765 ± 0.0005 Å
• b: 14.1844 ± 0.0009 Å
• c: 15.9271 ± 0.001 Å
• α: 76.326 ± 0.004°
• β: 77.458 ± 0.005°
• γ: 88.903 ± 0.005°
• Cell volume: 1515.44 ± 0.18 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.079
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1505
• Weighted residual factors for all reflections included in the refinement: 0.1997
• Goodness-of-fit parameter for all reflections included in the refinement: 0.738
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No