Information card for entry 2215984

Structure parameters

• Common name: 4-(4-Acetoxy-3,5-dimethoxybenzylidene)-2-phenyloxazol-5(4H)-one
• Chemical name: 2,6-Dimethoxy-4-(5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidenemethyl)phenyl acetate
• Formula: C20 H17 N O6
• Calculated formula: C20 H17 N O6
• SMILES: O=C1OC(=N/C1=C\c1cc(OC)c(OC(=O)C)c(OC)c1)c1ccccc1
• Title of publication: 2,6-Dimethoxy-4-(5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidenemethyl)phenyl acetate
• Authors of publication: Yi-Feng Sun; Xin-Li Wang; Ji-Kun Li; Ze-Bao Zheng; Ren-Tao Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4426 - o4426
• a: 8.84 ± 0.0013 Å
• b: 10.4431 ± 0.0015 Å
• c: 10.9693 ± 0.0016 Å
• α: 111.074 ± 0.006°
• β: 96.544 ± 0.006°
• γ: 102.119 ± 0.006°
• Cell volume: 903.7 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0617
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1016
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes