Information card for entry 7060862

Structure parameters

• Formula: C19 H16 F N O3 S
• Calculated formula: C19 H16 F N O3 S
• Title of publication: Synthesis of thiazolidin-4-ones from α-enolic dithioesters and α-halohydroxamates
• Authors of publication: Sun, Jianguo; Wang, Taimin; Zhu, Xuecheng; Xu, Wei; Cheng, Bin; Zhai, Hongbin
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 32
• Pages of publication: 14508 - 14512
• a: 11.4897 ± 0.0002 Å
• b: 7.4915 ± 0.0001 Å
• c: 20.1739 ± 0.0004 Å
• α: 90°
• β: 104.029 ± 0.002°
• γ: 90°
• Cell volume: 1684.68 ± 0.05 ų
• Cell temperature: 179.99 ± 0.1 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0573
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1443
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No