Information card for entry 2222891

Structure parameters

• Chemical name: (<i>E</i>)-4-benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one
• Formula: C16 H11 N O2
• Calculated formula: C16 H11 N O2
• SMILES: O=C1OC(=N/C1=C\c1ccccc1)c1ccccc1
• Title of publication: Orthorhombic modification of (<i>E</i>)-4-benzylidene-2-phenyl-1,3-oxazol-5(4<i>H</i>)-one: whole molecule disorder
• Authors of publication: Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1857
• a: 3.932 ± 0.0001 Å
• b: 14.7692 ± 0.0005 Å
• c: 20.669 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1200.3 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes