Information card for entry 7246679

Structure parameters

• Formula: C58 H37.89 Cl0.11 N6 O8 S2
• Calculated formula: C58 H37.888 Cl0.112 N6 O8 S2
• 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: 9.521 ± 0.0011 Å
• b: 12.027 ± 0.003 Å
• c: 12.459 ± 0.002 Å
• α: 63.128 ± 0.014°
• β: 82.674 ± 0.012°
• γ: 72.395 ± 0.015°
• Cell volume: 1212.9 ± 0.4 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: 0.0361
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0904
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No