Information card for entry 1503245

Structure parameters

• Formula: C22 H20 N2 O
• Calculated formula: C22 H20 N2 O
• SMILES: n12c(c3c(cccc3)cc2C2CC2)c(C(OC)c2ccccc2)cn1
• Title of publication: Efficient generation of biologically active H-pyrazolo[5,1-a]isoquinolines via multicomponent reaction.
• Authors of publication: Chen, Zhiyuan; Wu, Jie
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 21
• Pages of publication: 4856 - 4859
• a: 21.376 ± 0.005 Å
• b: 9.2038 ± 0.0018 Å
• c: 17.855 ± 0.004 Å
• α: 90°
• β: 100.141 ± 0.004°
• γ: 90°
• Cell volume: 3457.9 ± 1.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1062
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1596
• Goodness-of-fit parameter for all reflections included in the refinement: 0.921
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No