Information card for entry 2209055

Structure parameters

• Chemical name: Methyl 2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Formula: C19 H18 N2 O5
• Calculated formula: C19 H18 N2 O5
• SMILES: O(C)c1cc(ccc1)c1nc(on1)COc1ccccc1CC(=O)OC
• Title of publication: Methyl 2-{[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Authors of publication: Wang, Hai-Bo; Liu, Zhi-Qian; Yan, Xiao-Chen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1839 - o1840
• a: 8.962 ± 0.0018 Å
• b: 7.95 ± 0.0016 Å
• c: 25.021 ± 0.005 Å
• α: 90°
• β: 96.51 ± 0.03°
• γ: 90°
• Cell volume: 1771.2 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.128
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes