Information card for entry 7062012

Structure parameters

• Formula: C22 H18 O2
• Calculated formula: C22 H18 O2
• Title of publication: A metal-free approach to highly functionalized 3-substituted-3-arylbenzofuran-2(3H)-ones
• Authors of publication: Dhotare, Bhaskar B.; Kumar, Sahil; Wadawale, Amey; Nayak, Sandip K.; Kumar, Mukesh; Goswami, Dibakar
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 45
• Pages of publication: 21906 - 21910
• a: 13.1254 ± 0.0004 Å
• b: 8.6237 ± 0.0003 Å
• c: 14.955 ± 0.0004 Å
• α: 90°
• β: 92.728 ± 0.003°
• γ: 90°
• Cell volume: 1690.83 ± 0.09 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 3
• 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: 0.1262
• Residual factor for significantly intense reflections: 0.099
• Weighted residual factors for significantly intense reflections: 0.2701
• Weighted residual factors for all reflections included in the refinement: 0.3273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No