Information card for entry 7239259

Structure parameters

• Formula: C20 H19 N5 O5 S
• Calculated formula: C20 H19 N5 O5 S
• Title of publication: An environmentally benign approach for the synthesis of 3,3′-pyrrolidonyl spirooxindole derivatives via a cascade Knoevenagel‒Michael‒cyclization multicomponent reaction
• Authors of publication: Yu, Chengbin; Lyu, Hairong; Cai, Yan; Miao, Xinyu; Miao, Zhiwei
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 41
• Pages of publication: 18857
• a: 9.415 ± 0.007 Å
• b: 14.394 ± 0.01 Å
• c: 15.1 ± 0.01 Å
• α: 90°
• β: 97.725 ± 0.013°
• γ: 90°
• Cell volume: 2028 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.0944
• Residual factor for significantly intense reflections: 0.0615
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1233
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No