Information card for entry 2228339

Structure parameters

• Chemical name: 2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
• Formula: C16 H14 N2 O3
• Calculated formula: C16 H14 N2 O3
• SMILES: o1c(nnc1c1ccc(OC)cc1)c1ccc(OC)cc1
• Title of publication: 2,5-Bis(4-methoxyphenyl)-1,3,4-oxadiazole
• Authors of publication: Fun, Hoong-Kun; Goh, Jia Hao; Nithinchandra; Kalluraya, B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3072
• a: 10.7525 ± 0.0002 Å
• b: 11.8973 ± 0.0002 Å
• c: 11.634 ± 0.0002 Å
• α: 90°
• β: 115.434 ± 0.001°
• γ: 90°
• Cell volume: 1344.04 ± 0.04 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0601
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes