Information card for entry 7160917

Structure parameters

• Formula: C15 H10 N4
• Calculated formula: C15 H10 N4
• Title of publication: A Facile Synthesis of [1,2,3]Triazolo[1,5-a]quinazolines via Copper-Catalyzed Tandem Reaction and Its Denitrogenative Transformation to 2-Acyl-quinazolines
• Authors of publication: Liu, Xinxiang; Wang, Huijuan; Liu, Yalan; Wang, Can; Liu, Chao-Yang; Chen, Yunfeng
• Journal of publication: Organic & Biomolecular Chemistry
• Year of publication: 2025
• a: 5.732 ± 0.002 Å
• b: 8.394 ± 0.003 Å
• c: 23.847 ± 0.008 Å
• α: 90°
• β: 90.848 ± 0.005°
• γ: 90°
• Cell volume: 1147.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0709
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No