Information card for entry 1506467

Structure parameters

• Formula: C17 H15 N O3
• Calculated formula: C17 H15 N O3
• Title of publication: One-pot multistep synthesis of 4-acetoxy-2-amino-3-arylbenzofurans from 1-aryl-2-nitroethylenes and cyclohexane-1,3-diones.
• Authors of publication: Ishikawa, Teruhiko; Miyahara, Tadashi; Asakura, Mami; Higuchi, Shuichi; Miyauchi, Yayoi; Saito, Seiki
• Journal of publication: Organic letters
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 7
• Pages of publication: 1211 - 1214
• a: 7.488 ± 0.001 Å
• b: 8.724 ± 0.001 Å
• c: 11.424 ± 0.002 Å
• α: 98.55 ± 0.01°
• β: 103 ± 0.01°
• γ: 105.39 ± 0.01°
• Cell volume: 683.61 ± 0.18 ų
• Cell temperature: 103.1 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 significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 12.989
• Diffraction radiation wavelength: 1.5419 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No