Information card for entry 2215869

Structure parameters

• Common name: cis-2-(p-Fluoro)phenyl-6-phenyldithian-4-one 1-oxide
• Chemical name: 2-(4-Fluorophenyl)-6-phenyltetrahydro-2H-thiopyran-4-one 1-oxide
• Formula: C17 H14 F O2 S
• Calculated formula: C17 H14 F O2 S
• Title of publication: 2-(4-Fluorophenyl)-6-phenyltetrahydro-2<i>H</i>-thiopyran-4-one 1-oxide
• Authors of publication: A. Thiruvalluvar; S. Balamurugan; R. J. Butcher; K. Pandiarajan; D. Devanathan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 11
• Pages of publication: o4486 - o4486
• a: 11.3887 ± 0.0005 Å
• b: 24.6558 ± 0.0014 Å
• c: 5.1828 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1455.32 ± 0.12 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1691
• Weighted residual factors for all reflections included in the refinement: 0.1702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes