Information card for entry 2224368

Structure parameters

• Chemical name: 5,5'-Di-4-pyridyl-2,2'-(<i>p</i>-phenylene)di-1,3,4-oxadiazole
• Formula: C20 H12 N6 O2
• Calculated formula: C20 H12 N6 O2
• SMILES: n1ccc(cc1)c1nnc(o1)c1ccc(cc1)c1nnc(o1)c1ccncc1
• Title of publication: 5,5'-Di-4-pyridyl-2,2'-(<i>p</i>-phenylene)di-1,3,4-oxadiazole
• Authors of publication: Zhou, Rui-Sha; Song, Jiang-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3273
• a: 6.2424 ± 0.0006 Å
• b: 7.6969 ± 0.0007 Å
• c: 17.7321 ± 0.0016 Å
• α: 90°
• β: 96.635 ± 0.002°
• γ: 90°
• Cell volume: 846.27 ± 0.14 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes