Information card for entry 2239935

Structure parameters

• Chemical name: 2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl- 1-benzofuran
• Formula: C18 H17 F O2 S
• Calculated formula: C18 H17 F O1.997 S0.997
• Title of publication: Crystal structure of 2-ethyl-3-(4-fluorophenylsulfinyl)-5,7-dimethyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: o1058 - o1059
• a: 9.1523 ± 0.0002 Å
• b: 9.5503 ± 0.0002 Å
• c: 10.3099 ± 0.0002 Å
• α: 65.666 ± 0.001°
• β: 81.636 ± 0.001°
• γ: 70.782 ± 0.001°
• Cell volume: 775.29 ± 0.03 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1651
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes