Information card for entry 2206099

Structure parameters

• Chemical name: 2,2'-bis(1-phenyl-1H-tetrazole-5-ylsulfanyl) ether
• Formula: C18 H18 N8 O S2
• Calculated formula: C18 H18 N8 O S2
• SMILES: S(c1n(nnn1)c1ccccc1)CCOCCSc1nnnn1c1ccccc1
• Title of publication: 2,2'-Bis(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl) ether
• Authors of publication: Wei Wang; Bing Zhao; Wen-Qin Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: o1639 - o1640
• a: 7.2873 ± 0.0015 Å
• b: 18.657 ± 0.004 Å
• c: 30.047 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4085.2 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1139
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes