Information card for entry 4025858

Structure parameters

• Chemical name: 6-butyl-4-cyano-2-fluoro-3-5-chloro-(2-ethoxycarbonyloxy)-phenole
• Formula: C20 H19 Cl F N O4
• Calculated formula: C20 H19 Cl F N O4
• Title of publication: Synthesis of Highly Functionalized Biaryls by Condensation of 2-Fluoro-1,3-bis(silyloxy) 1,3-Dienes with 3-Cyanochromones and Subsequent Domino "Retro-Michael/Aldol/Fragmentation"
• Authors of publication: Muhammad Farooq Ibad; Obaid-Ur-Rahman Abid; Muhammad Adeel; Muhammad Nawaz; Verena Wolf; Alexander Villinger; Peter Langer
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 8315 - 8318
• a: 21.194 ± 0.018 Å
• b: 8.813 ± 0.007 Å
• c: 22.075 ± 0.019 Å
• α: 90°
• β: 109.443 ± 0.016°
• γ: 90°
• Cell volume: 3888 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0935
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1357
• Weighted residual factors for all reflections included in the refinement: 0.151
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No