Information card for entry 2231774

Structure parameters

• Chemical name: 5-Cyclopentyl-2-methyl-3-phenylsulfonyl-1-benzofuran
• Formula: C20 H20 O3 S
• Calculated formula: C20 H20 O3 S
• SMILES: S(=O)(=O)(c1c2cc(ccc2oc1C)C1CCCC1)c1ccccc1
• Title of publication: 5-Cyclopentyl-2-methyl-3-phenylsulfonyl-1-benzofuran
• Authors of publication: Seo, Pil Ja; Choi, Hong Dae; Son, Byeng Wha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2223
• a: 6.2999 ± 0.0009 Å
• b: 15.001 ± 0.002 Å
• c: 17.743 ± 0.002 Å
• α: 90°
• β: 92.011 ± 0.003°
• γ: 90°
• Cell volume: 1675.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0659
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1208
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes