Information card for entry 7156817

Structure parameters

• Formula: C22 H21 F N2 O
• Calculated formula: C22 H21 F N2 O
• Title of publication: Synthesis of pyrazolylvinyl ketones from furan derivatives.
• Authors of publication: Sawengngen, Nattawut; Chalikidi, Petrakis N.; Araby, Sara; Hampel, Frank; Gmeiner, Peter; Serdyuk, Olga V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 4850 - 4855
• a: 7.4796 ± 0.0007 Å
• b: 8.7825 ± 0.0008 Å
• c: 14.3379 ± 0.0014 Å
• α: 79.991 ± 0.008°
• β: 78.903 ± 0.008°
• γ: 89.752 ± 0.007°
• Cell volume: 909.76 ± 0.15 ų
• Cell temperature: 152 ± 1 K
• Ambient diffraction temperature: 152 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.063
• Residual factor for significantly intense reflections: 0.0497
• Weighted residual factors for significantly intense reflections: 0.1258
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No