Information card for entry 7155170

Structure parameters

• Chemical name: 3-benzoyl-1-phenyl-1,5,6,10b-tetrahydropyrazolo[5,1-a]isoquinolin-2(3H)-one
• Formula: C24 H20 N2 O2
• Calculated formula: C24 H20 N2 O2
• SMILES: O=C(N1N2CCc3ccccc3[C@@H]2[C@H](C1=O)c1ccccc1)c1ccccc1
• Title of publication: Thermal 1,3-dipolar cycloaddition reaction of azomethine imines with active esters.
• Authors of publication: He, Liwenze; Liu, Lin; Han, Runfeng; Zhang, Weiwei; Xie, Xingang; She, Xuegong
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 28
• Pages of publication: 6757 - 6761
• a: 7.6135 ± 0.0008 Å
• b: 13.282 ± 0.002 Å
• c: 18.5374 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1874.5 ± 0.4 ų
• Cell temperature: 291.89 ± 0.1 K
• Ambient diffraction temperature: 291.89 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1492
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.0989
• Weighted residual factors for all reflections included in the refinement: 0.1357
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No