Information card for entry 7063223

Structure parameters

• Formula: C24 H16 Cl6 N2 O2
• Calculated formula: C24 H16 Cl6 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: 3.8425 ± 0.0003 Å
• b: 11.4827 ± 0.0008 Å
• c: 13.8828 ± 0.0009 Å
• α: 94.128 ± 0.002°
• β: 94.256 ± 0.002°
• γ: 95.001 ± 0.002°
• Cell volume: 606.63 ± 0.07 ų
• Cell temperature: 290 K
• Ambient diffraction temperature: 290 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0959
• Weighted residual factors for all reflections included in the refinement: 0.1072
• 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: No
• Has Fobs: No