Information card for entry 1553558

Structure parameters

• Chemical name: 2,3-diphenylbenzofuran
• Formula: C20 H14 O
• Calculated formula: C20 H14 O
• SMILES: o1c(c2ccccc2)c(c2ccccc12)c1ccccc1
• Title of publication: Oxidative annulations triggered by a simple Lewis acid: facile synthesis of benzofurans
• Authors of publication: Sreenivasulu, Chinnabattigalla; Gopi Krishna Reddy, A.; Satyanarayana, G.
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 972
• a: 7.9447 ± 0.0003 Å
• b: 10.3826 ± 0.0004 Å
• c: 17.0108 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1403.16 ± 0.1 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1338
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0451
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No