Information card for entry 2209110

Structure parameters

• Chemical name: 1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1H- indol-2(3H)-one
• Formula: C30 H25 N5 O4
• Calculated formula: C30 H25 N5 O4
• SMILES: o1nc(nc1CC1(c2ccccc2N(C1=O)C(=O)C)Cc1onc(n1)c1ccc(cc1)C)c1ccc(C)cc1
• Title of publication: 1-Acetyl-3,3-bis[3-(4-methylphenyl)-1,2,4-oxadiazol-5-ylmethyl]-1<i>H</i>-indol-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: 6
• Pages of publication: o2462 - o2463
• a: 15.551 ± 0.0016 Å
• b: 6.9695 ± 0.0014 Å
• c: 25.22 ± 0.002 Å
• α: 90°
• β: 103.46 ± 0.03°
• γ: 90°
• Cell volume: 2658.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes