Information card for entry 7160627

Structure parameters

• Formula: C23 H16 N2 O2
• Calculated formula: C23 H16 N2 O2
• Title of publication: Selenium dioxide-mediated oxidative annulation of sulfonyl <i>o</i>-hydroxyacetophenones with acetophenones. One-pot synthesis of aurone analogs.
• Authors of publication: Chang, Meng-Yang; Liu, Yu-Hsuan
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2025
• Journal volume: 23
• Journal issue: 29
• Pages of publication: 6986 - 6991
• a: 3.8702 ± 0.0006 Å
• b: 13.0697 ± 0.001 Å
• c: 16.8646 ± 0.0008 Å
• α: 96.863 ± 0.005°
• β: 90.517 ± 0.009°
• γ: 93.533 ± 0.009°
• Cell volume: 845.21 ± 0.15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1245
• Residual factor for significantly intense reflections: 0.0975
• Weighted residual factors for significantly intense reflections: 0.2493
• Weighted residual factors for all reflections included in the refinement: 0.2751
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No