Information card for entry 7230077

Structure parameters

• Formula: C28 H30 N4 O4
• Calculated formula: C28 H30 N4 O4
• SMILES: c12cc(OC)ccc2NC(=O)[C@]21N1[C@@H]3CCCC[C@@H]3C[C@H]1[C@H]([C@@H]2c1c2c(n(c1)C)cccc2)N(=O)=O
• Title of publication: Green synthesis of new pyrrolidine-fused spirooxindoles via three-component domino reaction in EtOH/H2O
• Authors of publication: Wang, Yong-Chao; Wang, Jun-Liang; Burgess, Kevin S.; Zhang, Jiang-Wei; Zheng, Qiu-Mei; Pu, Ya-Dan; Yan, Li-Jun; Chen, Xue-Bing
• Journal of publication: RSC Advances
• Year of publication: 2018
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 5702
• a: 9.8684 ± 0.0009 Å
• b: 25.4867 ± 0.0018 Å
• c: 10.5567 ± 0.0009 Å
• α: 90°
• β: 110.979 ± 0.01°
• γ: 90°
• Cell volume: 2479.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No