Information card for entry 2217985

Structure parameters

• Chemical name: 2-Phenyl-4-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C19 H17 N O5
• Calculated formula: C19 H17 N O5
• SMILES: O=C1OC(=NC/1=C\c1cc(OC)c(OC)c(OC)c1)c1ccccc1
• Title of publication: 2-Phenyl-4-(3,4,5-trimethoxybenzylidene)-1,3-oxazol-5(4<i>H</i>)-one
• Authors of publication: Sun, Yi-Feng; Cui, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: o678
• a: 7.3897 ± 0.0005 Å
• b: 8.1532 ± 0.0006 Å
• c: 14.0023 ± 0.0009 Å
• α: 86.917 ± 0.005°
• β: 83.306 ± 0.004°
• γ: 82.471 ± 0.005°
• Cell volume: 830.02 ± 0.1 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: 0.0634
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1207
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes