Information card for entry 4021195

Structure parameters

• Formula: C27 H28 N3 O3.5
• Calculated formula: C27.5 H26 N3 O4
• 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: 9.1023 ± 0.0002 Å
• b: 9.7623 ± 0.0003 Å
• c: 14.385 ± 0.0004 Å
• α: 86.987 ± 0.001°
• β: 86.25 ± 0.001°
• γ: 69.955 ± 0.001°
• Cell volume: 1197.62 ± 0.05 ų
• Cell temperature: 293.2 K
• Ambient diffraction temperature: 293.2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.116
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No