Information card for entry 2222823

Structure parameters

• Chemical name: 5-Chloro-2-phenyl-3-phenylsulfinyl-1-benzofuran
• Formula: C20 H13 Cl O2 S
• Calculated formula: C20 H13 Cl O2 S
• SMILES: S(=O)(c1c2cc(Cl)ccc2oc1c1ccccc1)c1ccccc1
• Title of publication: 5-Chloro-2-phenyl-3-phenylsulfinyl-1-benzofuran
• Authors of publication: Choi, Hong Dae; Seo, Pil Ja; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1958
• a: 8.2726 ± 0.0005 Å
• b: 9.4111 ± 0.0005 Å
• c: 11.3811 ± 0.0006 Å
• α: 73.36 ± 0.001°
• β: 81.63 ± 0.001°
• γ: 70.757 ± 0.001°
• Cell volume: 800.24 ± 0.08 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0932
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes