Information card for entry 7107579

Structure parameters

• Formula: C23 H20 N2 O3
• Calculated formula: C23 H20 N2 O3
• Title of publication: Silver triflate-copper(II) acetate cooperative catalysis in a cascade reaction for concise synthesis of 2-carbonyl H-pyrazolo[5,1-a]isoquinolines
• Authors of publication: Zhiyuan Chen; Liang Gao; Shengqing Ye; Qiuping Ding; Jie Wu
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3975
• a: 7.609 ± 0.003 Å
• b: 9.954 ± 0.004 Å
• c: 13.193 ± 0.005 Å
• α: 96.213 ± 0.005°
• β: 97.796 ± 0.005°
• γ: 106.563 ± 0.006°
• Cell volume: 937.5 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0794
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1574
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No