Information card for entry 4021192

Structure parameters

• Formula: C28 H33 F N2 O5 S
• Calculated formula: C28 H33 F N2 O5 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: 9.839 ± 0.0002 Å
• b: 10.523 ± 0.0002 Å
• c: 27.04 ± 0.0005 Å
• α: 90 ± 0.001°
• β: 90.86 ± 0.001°
• γ: 90.01 ± 0.001°
• Cell volume: 2799.29 ± 0.08 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0726
• Weighted residual factors for significantly intense reflections: 0.0873
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No