Information card for entry 7251032

Structure parameters

• Formula: C11 H4 Cl F5 O S2
• Calculated formula: C11 H4 Cl F5 O S2
• Title of publication: Comparison between the crystal structures of racemic and enantiopure aryl benzyl sulfoxides.
• Authors of publication: Capozzi, Maria Annunziata M.; Alvarez-Larena, Angel; Piniella Febrer, Joan F.; Cardellicchio, Cosimo
• Journal of publication: RSC advances
• Year of publication: 2025
• Journal volume: 15
• Journal issue: 45
• Pages of publication: 37824 - 37832
• a: 26.479 ± 0.003 Å
• b: 5.1357 ± 0.0004 Å
• c: 9.4706 ± 0.0008 Å
• α: 90°
• β: 92.401 ± 0.001°
• γ: 90°
• Cell volume: 1286.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0888
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No