Information card for entry 2219848

Structure parameters

• Chemical name: (<i>Z</i>)-3-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-2-tosylprop-2-en-1- one
• Formula: C23 H19 F O5 S2
• Calculated formula: C23 H19 F O5 S2
• Title of publication: (<i>Z</i>)-3-(4-Fluorophenyl)-1-[4-(methylsulfonyl)phenyl]-2-tosylprop-2-en-1-one
• Authors of publication: Murugavel, S.; Kannan, P. S.; SubbiahPandi, A.; Murugan, Ramalingam; SrimanNarayanan, S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2194
• a: 9.6962 ± 0.0007 Å
• b: 22.8539 ± 0.0016 Å
• c: 10.8217 ± 0.0007 Å
• α: 90°
• β: 109.672 ± 0.002°
• γ: 90°
• Cell volume: 2258.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1031
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1969
• Weighted residual factors for all reflections included in the refinement: 0.2412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes