Information card for entry 2200346

Structure parameters

• Chemical name: (R,R)-1,3-Bis(phenylsulfinyl)propane
• Formula: C15 H16 O2 S2
• Calculated formula: C15 H16 O2 S2
• SMILES: S(=O)(CCCS(=O)c1ccccc1)c1ccccc1
• Title of publication: (<i>R</i>,<i>R</i>)-1,3-Bis(phenylsulfinyl)propane
• Authors of publication: Wei Chen; Miao Du; Wei Weng; Ruo-Hua Zhang; Xian-He Bu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: o430 - o431
• a: 8.444 ± 0.004 Å
• b: 15.58 ± 0.007 Å
• c: 11.579 ± 0.006 Å
• α: 90°
• β: 110.333 ± 0.009°
• γ: 90°
• Cell volume: 1428.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.052
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes