Information card for entry 7157561

Structure parameters

• Formula: C33 H32 F2 O2
• Calculated formula: C33 H32 F2 O2
• Title of publication: Pyrazoles: 'one-pot' synthesis from arenes and carboxylic acids.
• Authors of publication: Kim, Jung Keun; Gong, Ming; Shokova, Elvira A.; Tafeenko, Viktor A.; Kovaleva, Olga V.; Wu, Yangjie; Kovalev, Vladimir V.
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2020
• Journal volume: 18
• Journal issue: 29
• Pages of publication: 5625 - 5638
• a: 19.4194 ± 0.0006 Å
• b: 6.3668 ± 0.0002 Å
• c: 42.5242 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5257.7 ± 0.3 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1448
• Weighted residual factors for all reflections included in the refinement: 0.1611
• Goodness-of-fit parameter for all reflections included in the refinement: 0.874
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No