Information card for entry 7246680

Structure parameters

• Formula: C31 H23.91 Cl0.09 N2 O2 S
• Calculated formula: C31 H23.915 Cl0.085 N2 O2 S
• Title of publication: Electrochemical single-step N-acylation and S-cyclization synthesis of thiazolimide via radical process
• Authors of publication: Li, Yao; Zhang, Jun; She, Mengyao; Liu, Lang; Yang, Zheng; Liu, Ping; Zhang, Shengyong; Li, Jianli
• Journal of publication: Green Chemistry
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 11
• Pages of publication: 4302 - 4308
• a: 9.279 ± 0.003 Å
• b: 11.406 ± 0.002 Å
• c: 13.046 ± 0.005 Å
• α: 80.4 ± 0.02°
• β: 80.8 ± 0.03°
• γ: 69.338 ± 0.016°
• Cell volume: 1266.2 ± 0.7 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No