Information card for entry 2238339

Structure parameters

• Chemical name: 5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran
• Formula: C16 H12 Cl F O2 S
• Calculated formula: C16.0028 H12 Cl F O2 S
• Title of publication: 5-Chloro-3-ethylsulfinyl-2-(3-fluorophenyl)-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1210
• a: 9.5538 ± 0.0005 Å
• b: 11.2638 ± 0.0005 Å
• c: 13.4079 ± 0.0006 Å
• α: 98.739 ± 0.002°
• β: 93.733 ± 0.003°
• γ: 98.627 ± 0.002°
• Cell volume: 1404.25 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes