Information card for entry 7061185

Structure parameters

• Formula: C14 H14 N2 O5
• Calculated formula: C14 H14 N2 O5
• Title of publication: 2-Imidazolidinone benzofurans as unexpected outcome of the Lewis acid mediated Nenitzescu reaction
• Authors of publication: Horsten, Tomas; Alegbejo Price, Temitayo Omowumi; Van Meervelt, Luc; Emery, Flavio da Silva; Dehaen, Wim
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 2028 - 2032
• a: 8.432 ± 0.0003 Å
• b: 8.645 ± 0.0005 Å
• c: 10.0078 ± 0.0005 Å
• α: 66.339 ± 0.005°
• β: 84.385 ± 0.004°
• γ: 81.355 ± 0.004°
• Cell volume: 660.03 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0495
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No