Information card for entry 2216831

Structure parameters

• Chemical name: N-Phenyl-N-{4-[5-(2-phenyl-3-pyridyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline
• Formula: C31 H22 N4 O
• Calculated formula: C31 H22 N4 O
• SMILES: c1ccccc1N(c1ccccc1)c1ccc(cc1)c1nnc(c2cccnc2c2ccccc2)o1
• Title of publication: <i>N</i>-Phenyl-<i>N</i>-{4-[5-(2-phenyl-3-pyridyl)-1,3,4-oxadiazol-2-yl]phenyl}aniline
• Authors of publication: Li-Ping Han; Bin Li; Jie Liu; Qing-Chun Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4780 - o4780
• a: 9.722 ± 0.0005 Å
• b: 10.838 ± 0.0005 Å
• c: 12.174 ± 0.0006 Å
• α: 90.882 ± 0.0009°
• β: 110.074 ± 0.0009°
• γ: 92.221 ± 0.0009°
• Cell volume: 1203.34 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0917
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.112
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes