Information card for entry 7060102

Structure parameters

• Common name: phenyl phenylethenyl oxadiazol oxadiazole
• Chemical name: (E)-3-phenyl-5-[5-(2-phenylethenyl)-1,3,4-oxadiazol-2-yl]-1,2,4-oxadiazole
• Formula: C18 H12 N4 O2
• Calculated formula: C18 H12 N4 O2
• SMILES: o1c(nnc1/C=C/c1ccccc1)c1onc(n1)c1ccccc1
• Title of publication: Synthesis, spectroscopic characterization and DNA/HSA binding studies of (phenyl/naphthyl)ethenyl-substituted 1,3,4-oxadiazolyl-1,2,4-oxadiazoles
• Authors of publication: Mayer, João C. P.; Acunha, Thiago V.; Rodrigues, Oscar E. D.; Back, Davi F.; Chaves, Otávio A.; Dornelles, Luciano; Iglesias, Bernardo A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 471 - 484
• a: 15.8581 ± 0.0013 Å
• b: 4.2689 ± 0.0003 Å
• c: 22.023 ± 0.0018 Å
• α: 90°
• β: 94.541 ± 0.003°
• γ: 90°
• Cell volume: 1486.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1129
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No