Information card for entry 7063968

Structure parameters

• Formula: C37 H29 Br N2 O3
• Calculated formula: C37 H29 Br N2 O3
• 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: 12.539 ± 0.0015 Å
• b: 14.6451 ± 0.0017 Å
• c: 19.265 ± 0.002 Å
• α: 70.206 ± 0.004°
• β: 89.215 ± 0.004°
• γ: 73.626 ± 0.004°
• Cell volume: 3180.6 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0484
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1133
• Weighted residual factors for all reflections included in the refinement: 0.1199
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No