Information card for entry 2228200

Structure parameters

• Common name: 1,4-bis(5-phenyl-1,3,4-oxadiazol-2-ylsulfanyl)butane
• Chemical name: 5,5'-diphenyl-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-oxadiazole)
• Formula: C20 H18 N4 O2 S2
• Calculated formula: C20 H18 N4 O2 S2
• SMILES: C(CSc1nnc(o1)c1ccccc1)CCSc1nnc(o1)c1ccccc1
• Title of publication: 5,5'-Diphenyl-2,2'-[butane-1,4-diylbis(sulfanediyl)]bis(1,3,4-oxadiazole)
• Authors of publication: Wang, Wei; Qiu, Hong; Gao, Yan; Yao, Hong-Guo; Ji, Ming
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: o2931
• a: 12.202 ± 0.002 Å
• b: 5.9317 ± 0.0012 Å
• c: 13.518 ± 0.003 Å
• α: 90°
• β: 104.04 ± 0.03°
• γ: 90°
• Cell volume: 949.2 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0501
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes