Information card for entry 7123363

Structure parameters

• Formula: C17 H20 F2 N2 O3
• Calculated formula: C17 H20 F2 N2 O3
• Title of publication: Iridium(III)-catalysed annulation of pyrazolidinones with propiolates: a facile route to pyrazolo[1,2-a] indazoles
• Authors of publication: Yang, Zi; Song, Zhenyu; Jie, Lianghua; Wang, Lianhui; Cui, Xiuling
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 15.6208 ± 0.0015 Å
• b: 11.2655 ± 0.0007 Å
• c: 9.9974 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1759.3 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0981
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1483
• Weighted residual factors for all reflections included in the refinement: 0.1764
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No