Information card for entry 7152751

Structure parameters

• Formula: C23 H20 N2 O5
• Calculated formula: C23 H20 N2 O5
• SMILES: n12ncc(c1c1ccccc1cc2c1ccc(OC)cc1)C(C(=O)OC)C(=O)OC
• Title of publication: Synthesis of pyrazolo[5,1-a]isoquinolines via silver(i)-rhodium(i) cooperative catalysis in the reaction of N'-(2-alkynylbenzylidene)hydrazide with cycloprop-2-ene-1,1-dicarboxylate.
• Authors of publication: Yao, Liangqing; Yu, Xingxin; Mo, Chen; Wu, Jie
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 47
• Pages of publication: 9447 - 9451
• a: 8.013 ± 0.012 Å
• b: 9.542 ± 0.014 Å
• c: 14.04 ± 0.02 Å
• α: 93.728 ± 0.018°
• β: 104.831 ± 0.019°
• γ: 97.695 ± 0.019°
• Cell volume: 1023 ± 3 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: 0.0742
• Residual factor for significantly intense reflections: 0.0644
• Weighted residual factors for significantly intense reflections: 0.1692
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No