Information card for entry 7063224

Structure parameters

• Formula: C24 H16 F6 N2 O2
• Calculated formula: C24 H16 F6 N2 O2
• Title of publication: Expanding the versatility of trihalophenols as molecular templates to achieve a series of [2 + 2] cycloaddition reaction involving 1,2-bis(2-pyridyl)ethylene
• Authors of publication: Andren, Max; Unruh, Daniel K.; Krueger, Herman R.; Groeneman, Ryan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• a: 16.4149 ± 0.0011 Å
• b: 3.8067 ± 0.0004 Å
• c: 17.2311 ± 0.0014 Å
• α: 90°
• β: 99.309 ± 0.002°
• γ: 90°
• Cell volume: 1062.53 ± 0.16 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• 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: 0.0579
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1198
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No