Information card for entry 7226708

Structure parameters

• Formula: C15 H14 N3 O2
• Calculated formula: C15 H14 N3 O2
• Title of publication: Copper-catalyzed [3+2] cycloaddition reaction: Synthesis of substituted pyrazolo[1,5-c]quinazolines with N-iminoquinazolinium ylide and olefin as starting materials
• Authors of publication: Feng, Haiyan; Wang, Tao; Chen, Songtao; Huang, Yangfei; Yu, Weijie; huang, yuanyuan; Xiong, Fei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 26.012 ± 0.003 Å
• b: 6.7475 ± 0.0008 Å
• c: 16.049 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2816.9 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.1943
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No