Information card for entry 4021194

Structure parameters

• Formula: C24 H27 F N2 O4 S
• Calculated formula: C24 H27 F N2 O4 S
• Title of publication: Synthesis of 4,5-Diaryl-1H-pyrazole-3-ol Derivatives as Potential COX-2 Inhibitors
• Authors of publication: Meena V. Patel; Randy Bell; Sandra Majest; Rodger Henry; Teodozyj Kolasa
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2004
• Journal volume: 69
• Pages of publication: 7058 - 7065
• a: 10.0094 ± 0.0002 Å
• b: 13.2628 ± 0.0003 Å
• c: 35.0466 ± 0.0005 Å
• α: 90.009 ± 0.001°
• β: 90.011 ± 0.001°
• γ: 89.986 ± 0.001°
• Cell volume: 4652.5 ± 0.1 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.047
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No