Information card for entry 2204193

Structure parameters

• Chemical name: Methyl {2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}acetate
• Formula: C18 H16 N2 O4
• Calculated formula: C18 H16 N2 O4
• SMILES: o1nc(nc1COc1ccccc1CC(=O)OC)c1ccccc1
• Title of publication: Methyl {2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}acetate
• Authors of publication: Wang, Hai-Bo; Chen, Jia-Hui; Wang, Jin-Tang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1478 - o1480
• a: 8.785 ± 0.0018 Å
• b: 9.848 ± 0.002 Å
• c: 10.345 ± 0.002 Å
• α: 77.9 ± 0.03°
• β: 79.12 ± 0.03°
• γ: 67.39 ± 0.03°
• Cell volume: 802 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1597
• Weighted residual factors for all reflections included in the refinement: 0.1861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.166
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes