Information card for entry 4023330

Structure parameters

• Chemical name: 3-Methoxy-6-(2-fluoropyridin-5-yl)-4-(4,4,5,5-tetramethyl- 1,3,2-dioxaborolan-2-yl)pyridazine
• Formula: C16 H19 B F N3 O3
• Calculated formula: C16 H19 B F N3 O3
• Title of publication: Functionalized Heteroarylpyridazines and Pyridazin-3(2H)-one Derivatives via Palladium-Catalyzed Cross-Coupling Methodology
• Authors of publication: Kate M. Clapham; Andrei S. Batsanov; Ryan D. R. Greenwood; Martin R. Bryce; Amy E. Smith; Brian Tarbit
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2008
• Journal volume: 73
• Pages of publication: 2176 - 2181
• a: 6.7381 ± 0.0007 Å
• b: 22.646 ± 0.002 Å
• c: 11.128 ± 0.0011 Å
• α: 90°
• β: 106.52 ± 0.01°
• γ: 90°
• Cell volume: 1627.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0655
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1037
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No