Information card for entry 2222856

Structure parameters

• Chemical name: 5,5'-Di-4-pyridyl-2,2'-(5-<i>tert</i>-butyl-<i>m</i>- phenylene)bis(1,3,4-oxadiazole)
• Formula: C24 H20 N6 O2
• Calculated formula: C24 H20 N6 O2
• SMILES: CC(c1cc(cc(c1)c1nnc(o1)c1ccncc1)c1nnc(o1)c1ccncc1)(C)C
• Title of publication: 5,5'-Di-4-pyridyl-2,2'-(5-<i>tert</i>-butyl-<i>m</i>-phenylene)bis(1,3,4-oxadiazole)
• Authors of publication: Ono, Katsuhiko; Tsukamoto, Kenichi; Tomura, Masaaki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o1873
• a: 5.8778 ± 0.001 Å
• b: 14.767 ± 0.003 Å
• c: 25.298 ± 0.006 Å
• α: 90°
• β: 90.635 ± 0.01°
• γ: 90°
• Cell volume: 2195.7 ± 0.8 ų
• Cell temperature: 296 ± 1 K
• Ambient diffraction temperature: 296 ± 1 K
• Number of distinct elements: 4
• 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: 0.2652
• Residual factor for significantly intense reflections: 0.0702
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 0.898
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes