Information card for entry 2229574

Structure parameters

• Chemical name: (<i>Z</i>)-5-Benzylidene-3-butyl-4-phenyl-1,3-oxazolidin-2-one
• Formula: C20 H21 N O2
• Calculated formula: C20 H21 N O2
• SMILES: c1ccccc1/C=C1/C(c2ccccc2)N(C(=O)O1)CCCC
• Title of publication: (<i>Z</i>)-5-Benzylidene-3-butyl-4-phenyl-1,3-oxazolidin-2-one
• Authors of publication: Zhao, Jin-Wu; Xu, Jing-Xiu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o882
• a: 10.029 ± 0.002 Å
• b: 9.1941 ± 0.0018 Å
• c: 18.389 ± 0.004 Å
• α: 90°
• β: 100.51 ± 0.03°
• γ: 90°
• Cell volume: 1667.2 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes