Information card for entry 2206482

Structure parameters

• Chemical name: 1,10-Bis(phenylthio)decane
• Formula: C22 H30 S2
• Calculated formula: C22 H30 S2
• SMILES: C(CCCCSc1ccccc1)CCCCCSc1ccccc1
• Title of publication: 1,10-Bis(phenylsulfanyl)decane
• Authors of publication: Awaleh, Mohamed Osman; Badia, Antonnella; Brisse, François
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2473 - o2475
• a: 5.57 ± 0.002 Å
• b: 7.943 ± 0.003 Å
• c: 22.953 ± 0.007 Å
• α: 82.82 ± 0.03°
• β: 85.05 ± 0.03°
• γ: 89.55 ± 0.03°
• Cell volume: 1003.8 ± 0.6 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0701
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1465
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes