Information card for entry 7063078

Structure parameters

• Formula: C11 H11 N O4 S
• Calculated formula: C11 H11 N O4 S
• Title of publication: An efficient and straightforward approach for accessing sulfonamide/N-sulfonyl succinic esters via potassium fluoride-promoted C–N cleavage of N-sulfonyl succinimide
• Authors of publication: Lu, Zujia; Yang, Guangzao; Luo, Huaxin; Gao, Minjie; Irfan, Majeed; Wang, Fei; Zeng, Zhuo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 6378 - 6385
• a: 7.6259 ± 0.0006 Å
• b: 22.2673 ± 0.0017 Å
• c: 12.9983 ± 0.0011 Å
• α: 90°
• β: 92.158 ± 0.003°
• γ: 90°
• Cell volume: 2205.7 ± 0.3 ų
• Cell temperature: 149.81 K
• Ambient diffraction temperature: 149.81 K
• Number of distinct elements: 5
• 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: 0.0465
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No