Information card for entry 7250078

Structure parameters

• Formula: C23 H21 Cl2 F3 N2 O6 S
• Calculated formula: C23 H21 Cl2 F3 N2 O6 S
• Title of publication: Electrochemical regioselective synthesis of sulfonyl 2,5-dihydrofuran-fused spiropyrimidines via multi-component radical cascade reactions
• Authors of publication: Yang, Qi-Liang; Xu, Rong-Yi; Ni, Cheng-Yang; Liu, Xin; Qiao, Zu-Lin; Zhang, Qi-Ying; Wang, Dong-Chao; Guo, Hai-Ming
• Journal of publication: Green Chemistry
• Year of publication: 2025
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 1499 - 1509
• a: 16.0694 ± 0.0016 Å
• b: 9.9654 ± 0.0008 Å
• c: 17.9448 ± 0.0017 Å
• α: 90°
• β: 113.464 ± 0.011°
• γ: 90°
• Cell volume: 2636 ± 0.5 ų
• Cell temperature: 292.38 ± 0.1 K
• Ambient diffraction temperature: 292.38 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1034
• Residual factor for significantly intense reflections: 0.0746
• Weighted residual factors for significantly intense reflections: 0.2032
• Weighted residual factors for all reflections included in the refinement: 0.2298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No