Information card for entry 7224580

Structure parameters

• Formula: C34 H32 N4 O4 S
• Calculated formula: C34 H32 N4 O4 S
• SMILES: S=C1N(NC(=O)c2ccccc2)[C@@H](c2ccccc2)[C@]2(N1)c1ccccc1N(C2=O)Cc1ccccc1.O=C(OCC)C.S=C1N(NC(=O)c2ccccc2)[C@H](c2ccccc2)[C@@]2(N1)c1ccccc1N(C2=O)Cc1ccccc1.O=C(OCC)C
• Title of publication: Facile construction of novel imidazolidine-spirooxindoles via diastereoselective cycloaddition of N-acylhydrazine-derived imines with 3-isothiocyanato oxindoles
• Authors of publication: Zhao, Hongwu; Li, Bo; Tian, Ting; song, xiuqing; Pang, Hai-Liang; Chen, Xiao-Qin; Yang, Zhao; Meng, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 9.984 ± 0.0013 Å
• b: 12.9333 ± 0.0014 Å
• c: 13.6529 ± 0.0018 Å
• α: 117.42 ± 0.007°
• β: 99.869 ± 0.013°
• γ: 96.128 ± 0.01°
• Cell volume: 1506.6 ± 0.4 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0864
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No