Information card for entry 7133873

Structure parameters

• Formula: C17 H12 N2 O2
• Calculated formula: C17 H12 N2 O2
• Title of publication: Employing a PhI(OAc)₂-mediated domino reaction to assemble nitrogen-containing heterocyclic derivatives and assessing their anti-inflammatory activity.
• Authors of publication: Li, Xinyue; Fang, Yuhua; Zhao, Yuanyuan; Luo, Shenshen; Xue, Yuhui; Yong, Tingting; Wang, Bin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 91
• Pages of publication: 13352 - 13355
• a: 5.65731 ± 0.00016 Å
• b: 5.62441 ± 0.00016 Å
• c: 20.6396 ± 0.0006 Å
• α: 90°
• β: 93.064 ± 0.002°
• γ: 90°
• Cell volume: 655.79 ± 0.03 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0358
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0949
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No