Information card for entry 2220225

Structure parameters

• Chemical name: 2-(4-Chlorophenyl)-5-{3,4-dibutoxy-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2- yl]thiophen-2-yl}-1,3,4-oxadiazole
• Formula: C28 H26 Cl2 N4 O4 S
• Calculated formula: C28 H26 Cl2 N4 O4 S
• SMILES: s1c(c2oc(nn2)c2ccc(Cl)cc2)c(OCCCC)c(OCCCC)c1c1oc(nn1)c1ccc(Cl)cc1
• Title of publication: 2-(4-Chlorophenyl)-5-{3,4-dibutoxy-5-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]thiophen-2-yl}-1,3,4-oxadiazole
• Authors of publication: Li, Hai-Lin; Wang, Hong-Wei; Lu, Ran-Zhe; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2298
• a: 19.215 ± 0.004 Å
• b: 22.847 ± 0.005 Å
• c: 14.933 ± 0.003 Å
• α: 90°
• β: 121.25 ± 0.03°
• γ: 90°
• Cell volume: 5605 ± 3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1629
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.1594
• Weighted residual factors for all reflections included in the refinement: 0.1981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes