Information card for entry 7133739

Structure parameters

• Formula: C23 H17 N3
• Calculated formula: C23 H17 N3
• Title of publication: Regioselective synthesis of 3,4-diarylpyrimido[1,2-b]indazole derivatives enabled by iron-catalyzed ring-opening of styrene oxides
• Authors of publication: Cao, Penghui; Fan, Guangping; Zhao, Xiaofei; Ren, Xinyu; Wang, Yuru; Wang, Yuying; Gao, Qinghe
• Journal of publication: Chemical Communications
• Year of publication: 2024
• a: 9.185 ± 0.008 Å
• b: 10.136 ± 0.008 Å
• c: 10.439 ± 0.009 Å
• α: 80.364 ± 0.009°
• β: 67.002 ± 0.009°
• γ: 73.546 ± 0.01°
• Cell volume: 856.2 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1262
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No