Information card for entry 2208288

Structure parameters

• Chemical name: 1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1H-indolin-2(3H)-one
• Formula: C30 H25 N5 O4
• Calculated formula: C30 H25 N5 O4
• SMILES: o1nc(nc1CC1(C(=O)N(c2ccccc12)C(=O)C)Cc1onc(n1)c1c(C)cccc1)c1ccccc1C
• Title of publication: 1-Acetyl-3,3-bis[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1<i>H</i>-indolin-2(3<i>H</i>)-one
• Authors of publication: Yan, Xiao-Chen; Wang, Hai-Bo; Liu, Zhi-Qian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 3
• Pages of publication: o917 - o918
• a: 11.68 ± 0.002 Å
• b: 12.234 ± 0.002 Å
• c: 18.396 ± 0.004 Å
• α: 90°
• β: 93.85 ± 0.03°
• γ: 90°
• Cell volume: 2622.7 ± 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: 0.1291
• Residual factor for significantly intense reflections: 0.0668
• Weighted residual factors for significantly intense reflections: 0.1444
• Weighted residual factors for all reflections included in the refinement: 0.1719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes