Information card for entry 7062011

Structure parameters

• Formula: C23 H20 O4
• Calculated formula: C23 H20 O4
• SMILES: C1(c2c(ccc(c2)C)OC1=O)(c1ccccc1)c1c(cc(cc1)OC)OC
• 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: 18.5957 ± 0.0003 Å
• b: 11.1708 ± 0.0002 Å
• c: 18.5559 ± 0.0003 Å
• α: 90°
• β: 97.671 ± 0.002°
• γ: 90°
• Cell volume: 3820.1 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1385
• Weighted residual factors for all reflections included in the refinement: 0.1909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No