Information card for entry 2211459

Structure parameters

• Chemical name: 4,4'-Bis[(phenylsulfanyl)methyl]biphenyl
• Formula: C26 H22 S2
• Calculated formula: C26 H22 S2
• SMILES: c1ccc(cc1)SCc1ccc(cc1)c1ccc(cc1)CSc1ccccc1
• Title of publication: 4,4'-Bis[(phenylsulfanyl)methyl]biphenyl
• Authors of publication: Rong Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5600 - o5601
• a: 23.2051 ± 0.0006 Å
• b: 5.5097 ± 0.0001 Å
• c: 8.0412 ± 0.0002 Å
• α: 90°
• β: 91.216 ± 0.002°
• γ: 90°
• Cell volume: 1027.86 ± 0.04 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 3
• 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: 0.0494
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes