Information card for entry 2224384

Structure parameters

• Chemical name: 1-Methyl-4-({5-[(4-methylphenyl)sulfanyl]pentyl}sulfanyl)benzene
• Formula: C19 H24 S2
• Calculated formula: C19 H24 S2
• Title of publication: 1-Methyl-4-({5-[(4-methylphenyl)sulfanyl]pentyl}sulfanyl)benzene
• Authors of publication: Brito, Iván; Cárdenas, Alejandro; Albanez, Joselyn; Bolte, Michael; López-Rodríguez, Matías
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o2980
• a: 5.735 ± 0.0003 Å
• b: 14.8989 ± 0.0007 Å
• c: 20.5873 ± 0.0009 Å
• α: 84.586 ± 0.004°
• β: 88.355 ± 0.004°
• γ: 83.937 ± 0.004°
• Cell volume: 1741.13 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0438
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0945
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes