Information card for entry 2221082

Structure parameters

• Chemical name: 2-{3,4-Dibutoxy-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}- 5-(3-methylphenyl)-1,3,4-oxadiazole
• Formula: C30 H32 N4 O4 S
• Calculated formula: C30 H32 N4 O4 S
• SMILES: s1c(c(OCCCC)c(OCCCC)c1c1nnc(o1)c1cccc(c1)C)c1oc(nn1)c1cccc(C)c1
• Title of publication: 2-{3,4-Dibutoxy-5-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}-5-(3-methylphenyl)-1,3,4-oxadiazole
• Authors of publication: Han, Lu-Na; Lu, Ran-Zhe; Zhang, Min; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 3
• Pages of publication: o622
• a: 16.421 ± 0.003 Å
• b: 14.432 ± 0.003 Å
• c: 12.338 ± 0.003 Å
• α: 90°
• β: 98.36 ± 0.03°
• γ: 90°
• Cell volume: 2892.9 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1569
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes