Information card for entry 2228788

Structure parameters

• Chemical name: Dibenzyl sulfoxide
• Formula: C14 H14 O S
• Calculated formula: C14 H14 O S
• SMILES: O=S(Cc1ccccc1)Cc1ccccc1
• Title of publication: Dibenzyl sulfoxide
• Authors of publication: Zeng, Yun-Xiu; Xu, Zhi-Guang; Zhan, Qing-Guang; Liu, Hai-Yang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o177
• a: 17.882 ± 0.005 Å
• b: 53.15 ± 0.014 Å
• c: 10.233 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9726 ± 5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.1125
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.1825
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes