Information card for entry 7156717

Structure parameters

• Chemical name: (Z)-5-(3,4-dimethoxybenzylidene)-2-((2-oxo-2-phenylethyl)selanyl)-3-phenyl-3,5-dihydro-4H-imidazol-4-one
• Formula: C26 H22 N2 O4 Se
• Calculated formula: C26 H22 N2 O4 Se
• Title of publication: One-pot synthesis of 4-arylidene imidazolin-5-ones by reaction of amino acid esters with isocyanates and α-bromoketones.
• Authors of publication: Haung, Jia-Yun; Barve, Indrajeet J.; Sun, Chung-Ming
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 3040 - 3047
• a: 5.0331 ± 0.0003 Å
• b: 12.9922 ± 0.0008 Å
• c: 17.1983 ± 0.0011 Å
• α: 90°
• β: 93.403 ± 0.002°
• γ: 90°
• Cell volume: 1122.63 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No