Information card for entry 2206581

Structure parameters

• Chemical name: 1,2-bis(phenylsulfanyl)ethane
• Formula: C14 H14 S2
• Calculated formula: C14 H14 S2
• SMILES: C(Sc1ccccc1)CSc1ccccc1
• Title of publication: 1,2-Bis(phenylsulfanyl)ethane
• Authors of publication: Hou, Bao-Hong; Zhou, Li-Na; Yin, Qiu-Xiang; Wang, Jing-Kang; Chen, Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 8
• Pages of publication: o2482 - o2483
• a: 5.8389 ± 0.0012 Å
• b: 7.6865 ± 0.0015 Å
• c: 14.124 ± 0.003 Å
• α: 90°
• β: 97.9 ± 0.03°
• γ: 90°
• Cell volume: 627.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0496
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.1257
• Weighted residual factors for all reflections included in the refinement: 0.1311
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes