Information card for entry 2204526

Structure parameters

• Chemical name: Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Formula: C18 H15 N3 O6
• Calculated formula: C18 H15 N3 O6
• SMILES: O(c1ccccc1CC(=O)OC)Cc1onc(n1)c1ccc(N(=O)=O)cc1
• Title of publication: Methyl 2-{[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]methoxy}phenylacetate
• Authors of publication: Wang, Hai-Bo; Chen, Jia-Hui; Pu, Yue-Qing; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 11
• Pages of publication: o2073 - o2075
• a: 10.436 ± 0.002 Å
• b: 5.18 ± 0.001 Å
• c: 31.56 ± 0.006 Å
• α: 90°
• β: 92.94 ± 0.03°
• γ: 90°
• Cell volume: 1703.8 ± 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: 0.1322
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1472
• Weighted residual factors for all reflections included in the refinement: 0.1897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes