Information card for entry 2222850

Structure parameters

• Chemical name: 2,5-Bis[2-(2-methoxyethoxy)phenyl]-1,3,4-oxadiazole
• Formula: C20 H22 N2 O5
• Calculated formula: C20 H22 N2 O5
• SMILES: O(C)CCOc1ccccc1c1oc(nn1)c1ccccc1OCCOC
• Title of publication: 2,5-Bis[2-(2-methoxyethoxy)phenyl]-1,3,4-oxadiazole
• Authors of publication: Tian, Xia; Zhen, Xiao-Li; Han, Jian-Rong; Ming, Chang-Xin; Liu, Shou-Xin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 8
• Pages of publication: o2010
• a: 7.7264 ± 0.0015 Å
• b: 13.886 ± 0.003 Å
• c: 16.911 ± 0.003 Å
• α: 90°
• β: 96.42 ± 0.03°
• γ: 90°
• Cell volume: 1803 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes