Information card for entry 7159003

Structure parameters

• Formula: C17 H18 N2 O4 S
• Calculated formula: C17 H18 N2 O4 S
• Title of publication: Organocatalytic cascade nucleophilic/aza-Michael addition reactions: metal-free catalytic strategy for the synthesis of hydantoins.
• Authors of publication: Xie, Lei; Sun, Lei; Wu, Ping; Wang, Zhaoxue; Zhao, Chenyi; Wu, Lingang; Li, Xiaojing; Gao, Zhenzhen; Liu, Wanxing; Nie, Shao-Zhen
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2023
• Journal volume: 21
• Journal issue: 11
• Pages of publication: 2295 - 2300
• a: 8.3747 ± 0.001 Å
• b: 10.831 ± 0.0012 Å
• c: 18.463 ± 0.002 Å
• α: 90°
• β: 93.213 ± 0.002°
• γ: 90°
• Cell volume: 1672.1 ± 0.3 ų
• Cell temperature: 296.15 K
• Ambient diffraction temperature: 296.15 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: 0.0492
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.101
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No