Information card for entry 2210637

Structure parameters

• Chemical name: 1-Acetyl-3,3-bis[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-ylmethyl]indolin-2-one
• Formula: C30 H25 N5 O6
• Calculated formula: C30 H25 N5 O6
• SMILES: O(C)c1cccc(c1)c1noc(n1)CC1(C(=O)N(C(=O)C)c2ccccc12)Cc1onc(n1)c1cc(OC)ccc1
• Title of publication: 1-Acetyl-3,3-bis[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-ylmethyl]indolin-2-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: 10
• Pages of publication: o4640 - o4641
• a: 8.63 ± 0.0017 Å
• b: 11.866 ± 0.002 Å
• c: 14.616 ± 0.003 Å
• α: 108.95 ± 0.03°
• β: 99.02 ± 0.03°
• γ: 101.17 ± 0.03°
• Cell volume: 1349.3 ± 0.6 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: 0.1551
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.1859
• Weighted residual factors for all reflections included in the refinement: 0.2229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes