Information card for entry 2019418

Structure parameters

• Chemical name: 2,5-Bis{2-methyl-5-[2-(pyridin-3-yl)ethenyl]phenyl}-1,3,4-oxadiazole
• Formula: C30 H20 N4 O
• Calculated formula: C30 H20 N4 O
• SMILES: Cc1ccc(cc1c1nnc(o1)c1cc(ccc1C)C#Cc1cccnc1)C#Cc1cccnc1
• Title of publication: `0'- and `8'-shaped complexes generated from a nano-sized oxadiazole-containing organic ligand with CdI~2~ and CuI
• Authors of publication: Liu, Zhao-Cai; Liu, Qi-Kui; Li, Yan-An; Ma, Jian-Ping; Dong, Yu-Bin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: 31 - 36
• a: 16.5 ± 0.006 Å
• b: 11.356 ± 0.004 Å
• c: 24.656 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4620 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No