Information card for entry 7116467

Structure parameters

• Formula: C20 H14 I N O
• Calculated formula: C20 H14 I N O
• SMILES: Ic1c2nc(cc(c2oc1c1ccccc1)C)c1ccccc1
• Title of publication: A novel one-pot method for the synthesis of substituted furopyridines: iodine-mediated oxidation of enaminones by tandem metal-free cyclization.
• Authors of publication: Yan, Rulong; Li, Xiaoni; Yang, Xiaodong; Kang, Xing; Xiang, Likui; Huang, Guosheng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 13
• Pages of publication: 2573 - 2576
• a: 7.4452 ± 0.0003 Å
• b: 19.3722 ± 0.0006 Å
• c: 11.2423 ± 0.0003 Å
• α: 90°
• β: 91.073 ± 0.004°
• γ: 90°
• Cell volume: 1621.19 ± 0.09 ų
• Cell temperature: 294.64 ± 0.1 K
• Ambient diffraction temperature: 294.64 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No