Information card for entry 2007690

Structure parameters

• Formula: C24 H18 Cl N O6 S
• Calculated formula: C24 H18 Cl N O6 S
• SMILES: CC(=O)Oc1ccc(cc1N1C(=O)OC(=C1c1ccc(cc1)S(=O)(=O)C)c1ccccc1)Cl
• Title of publication: 4-Chloro-2-{4-[<i>p</i>-(methylsulfonyl)phenyl]-2-oxo-5-phenyl-2,3-dihydro-1,3-oxazol-3-yl}phenyl Acetate
• Authors of publication: Nancy N. Tsou; Richard G. Ball; Patrick J. Roy; Yves Leblanc
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 10
• Pages of publication: 1493 - 1494
• a: 10.4968 ± 0.0009 Å
• b: 13.5 ± 0.001 Å
• c: 15.626 ± 0.001 Å
• α: 90°
• β: 96.986 ± 0.006°
• γ: 90°
• Cell volume: 2197.9 ± 0.3 ų
• Cell temperature: 294 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.128
• Goodness-of-fit parameter for significantly intense reflections: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No