Information card for entry 7126632

Structure parameters

• Chemical name: ethyl 1-phenylpyrazolo[1,5-c]quinazoline-2-carboxylate
• Formula: C19 H15 N3 O2
• Calculated formula: C19 H15 N3 O2
• SMILES: O(C(=O)c1nn2c(c1c1ccccc1)c1ccccc1nc2)CC
• Title of publication: Synthesis of pyrazolo[1,5-c]quinazoline derivatives through the copper-catalyzed domino reaction of o-alkenyl aromatic isocyanides with diazo compounds.
• Authors of publication: Liu, Lu; Li, Lei; Mao, Shukuan; Wang, Xin; Zhou, Ming-Dong; Zhao, Yu-Long; Wang, He
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 55
• Pages of publication: 7665 - 7668
• a: 9.346 ± 0.002 Å
• b: 12.963 ± 0.003 Å
• c: 13.931 ± 0.004 Å
• α: 104.993 ± 0.009°
• β: 99.436 ± 0.01°
• γ: 97.9 ± 0.009°
• Cell volume: 1579.3 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1647
• Residual factor for significantly intense reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.1788
• Weighted residual factors for all reflections included in the refinement: 0.2228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No