Information card for entry 2219019

Structure parameters

• Chemical name: 2-[3,4-Dibutoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thienyl]- 5-phenyl-1,3,4-oxadiazole
• Formula: C28 H28 N4 O4 S
• Calculated formula: C28 H28 N4 O4 S
• SMILES: s1c(c2oc(nn2)c2ccccc2)c(OCCCC)c(OCCCC)c1c1oc(nn1)c1ccccc1
• Title of publication: 2-[3,4-Dibutoxy-5-(5-phenyl-1,3,4-oxadiazol-2-yl)-2-thienyl]-5-phenyl-1,3,4-oxadiazole
• Authors of publication: Li, Hai-lin; Zeng, Hai-su; Kang, Si-shun; Wang, Hai-bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 8
• Pages of publication: o1419
• a: 7.677 ± 0.0015 Å
• b: 16.871 ± 0.003 Å
• c: 20.398 ± 0.004 Å
• α: 90°
• β: 93.77 ± 0.03°
• γ: 90°
• Cell volume: 2636.2 ± 0.9 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: 0.1944
• Residual factor for significantly intense reflections: 0.087
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.2026
• 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