Information card for entry 2207289

Structure parameters

• Chemical name: 2,5-Di-4-pyridyl-1,3,4-oxadiazle‒succinic acid (2/1)
• Formula: C28 H22 N8 O6
• Calculated formula: C28 H22 N8 O6
• SMILES: n1ccc(cc1)c1nnc(o1)c1ccncc1.n1ccc(cc1)c1nnc(o1)c1ccncc1.OC(=O)CCC(=O)O
• Title of publication: 2,5-Di-4-pyridyl-1,3,4-oxadiazole‒succinic acid (2/1)
• Authors of publication: Yong-Tao Wang; Gui-Mei Tang; Da-Wei Qin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3623 - o3624
• a: 6.4389 ± 0.0009 Å
• b: 9.5462 ± 0.0013 Å
• c: 11.0415 ± 0.0015 Å
• α: 94.803 ± 0.002°
• β: 103.666 ± 0.002°
• γ: 96.213 ± 0.002°
• Cell volume: 651.39 ± 0.16 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: 0.0412
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes