Information card for entry 4021193

Structure parameters

• Formula: C24 H21 F N2 O4 S2
• Calculated formula: C24 H21 F N2 O4 S2
• 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: 9.3719 ± 0.0002 Å
• b: 10.8785 ± 0.0004 Å
• c: 12.7849 ± 0.0005 Å
• α: 86.311 ± 0.002°
• β: 82.031 ± 0.001°
• γ: 65.274 ± 0.002°
• Cell volume: 1172.48 ± 0.07 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.1263
• Weighted residual factors for significantly intense reflections: 0.1305
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No