Information card for entry 2226300

Structure parameters

• Chemical name: Bis(benzylsulfanyl)methane
• Formula: C15 H16 S2
• Calculated formula: C15 H16 S2
• SMILES: S(Cc1ccccc1)CSCc1ccccc1
• Title of publication: Bis(benzylsulfanyl)methane
• Authors of publication: Yang, Hojin; Kim, Tae Ho; Moon, Suk-Hee; Kim, Jineun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1519
• a: 5.5146 ± 0.0001 Å
• b: 12.2628 ± 0.0003 Å
• c: 20.0128 ± 0.0005 Å
• α: 90°
• β: 101.156 ± 0.001°
• γ: 90°
• Cell volume: 1327.78 ± 0.05 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0349
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0818
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes