Information card for entry 2209425

Structure parameters

• Chemical name: 2,3-Bis[(1-phenyl-1H-tetrazol-5-ylsulfanyl)methyl]quinoxaline
• Formula: C24 H18 N10 S2
• Calculated formula: C24 H18 N10 S2
• SMILES: S(c1n(nnn1)c1ccccc1)Cc1nc2ccccc2nc1CSc1n(nnn1)c1ccccc1
• Title of publication: 2,3-Bis[(1-phenyl-1<i>H</i>-tetrazol-5-ylsulfanyl)methyl]quinoxaline
• Authors of publication: Wei Wang; Ning-Ning Pan; Bing Zhao
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 7
• Pages of publication: o2817 - o2818
• a: 6.3813 ± 0.0018 Å
• b: 16.758 ± 0.005 Å
• c: 22.214 ± 0.006 Å
• α: 96.538 ± 0.005°
• β: 92.822 ± 0.004°
• γ: 95.274 ± 0.005°
• Cell volume: 2345.8 ± 1.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1116
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.133
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes