Information card for entry 2211027

Structure parameters

• Chemical name: N-(2,6-Dimethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
• Formula: C24 H21 N3 O3
• Calculated formula: C24 H21 N3 O3
• SMILES: O=C(Nc1c(C)cccc1C)COc1ccccc1c1nc(no1)c1ccccc1
• Title of publication: <i>N</i>-(2,6-Dimethylphenyl)-2-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
• Authors of publication: Ding, Wei-Lin; Wang, Pin-Liang; Xing, Zhi-Tao; Wang, Hai-Bo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4950 - o4951
• a: 12.685 ± 0.003 Å
• b: 20.073 ± 0.004 Å
• c: 8.309 ± 0.0017 Å
• α: 90°
• β: 102.87 ± 0.03°
• γ: 90°
• Cell volume: 2062.5 ± 0.8 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: 0.148
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2184
• Weighted residual factors for all reflections included in the refinement: 0.2556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes