Information card for entry 2216472

Structure parameters

• Chemical name: 2-(2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)-\ N-(2,6-dimethylphenyl)acetamide
• Formula: C26 H26 N4 O3
• Calculated formula: C26 H26 N4 O3
• SMILES: o1nc(nc1c1c(OCC(=O)Nc2c(cccc2C)C)cccc1)c1ccc(N(C)C)cc1
• Title of publication: 2-(2-{3-[4-(Dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl}phenoxy)-<i>N</i>-(2,6-dimethylphenyl)acetamide
• Authors of publication: Zeng, Hai-Su; Wang, Hai-Bo; Kang, Si-Shun; Li, Hai-Lin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4745 - o4745
• a: 8.99 ± 0.0018 Å
• b: 9.033 ± 0.0018 Å
• c: 15.445 ± 0.003 Å
• α: 83.01 ± 0.03°
• β: 79.76 ± 0.03°
• γ: 66.54 ± 0.03°
• Cell volume: 1130.4 ± 0.5 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: 0.1236
• Residual factor for significantly intense reflections: 0.0773
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1785
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes