Information card for entry 7063967

Structure parameters

• Formula: C39 H36 N2 O4
• Calculated formula: C39 H36 N2 O4
• Title of publication: Base-controlled diastereoselective [3+2]-cycloaddition and Michael addition of isatin ketonitrones and chalcones to construct spiropyrrolidine oxoindoles and γ-substituted isatin ketonitrones
• Authors of publication: Chen, Silu; Ma, Lan; Yue, Chao; Du, Biao; Lu, Cuifen; Long, Chunyan; Wu, Wanbing; Li, Sicheng; He, Qiao; Yue, Guizhou
• Journal of publication: New Journal of Chemistry
• Year of publication: 2025
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 16978 - 16988
• a: 11.7995 ± 0.0004 Å
• b: 18.6988 ± 0.0007 Å
• c: 14.202 ± 0.0005 Å
• α: 90°
• β: 94.0741 ± 0.0012°
• γ: 90°
• Cell volume: 3125.56 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1065
• Weighted residual factors for all reflections included in the refinement: 0.1122
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No