Information card for entry 1553557

Structure parameters

• Formula: C25 H18 O2
• Calculated formula: C25 H18 O2
• SMILES: o1c(c2ccccc2)c(c2ccc(OC)cc2)c2c1c1ccccc1cc2
• 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: 14.3717 ± 0.0006 Å
• b: 5.917 ± 0.0002 Å
• c: 21.4597 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1824.88 ± 0.12 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 3
• Space group number: 33
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for all reflections: 0.1073
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1467
• Weighted residual factors for all reflections included in the refinement: 0.1967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0503
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No