Information card for entry 2230131

Structure parameters

• Chemical name: Bis(4-ethoxyphenyl) sulfoxide
• Formula: C16 H18 O3 S
• Calculated formula: C16 H18 O3 S
• SMILES: CCOc1ccc(cc1)S(=O)c1ccc(cc1)OCC
• Title of publication: Bis(4-ethoxyphenyl) sulfoxide
• Authors of publication: Meng, Kang; Wu, Cheng; Cao, Jing; Ma, Ping; Liu, Lihong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: o1136
• a: 8.2052 ± 0.0016 Å
• b: 9.856 ± 0.002 Å
• c: 10.196 ± 0.002 Å
• α: 64.71 ± 0.03°
• β: 83.78 ± 0.03°
• γ: 82.88 ± 0.03°
• Cell volume: 738.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes