Information card for entry 7156701

Structure parameters

• Formula: C25 H22 Br F3 N2 O5 S
• Calculated formula: C25 H22 Br F3 N2 O5 S
• Title of publication: The asymmetric construction of CF₃-containing spiro-thiazolone-pyrrolidine compounds via [3 + 2] cycloaddition.
• Authors of publication: Li, Boyu; Liu, Jikun; Gao, Fengyun; Sun, Mengmeng; Guo, Yifei; Zhou, Yuan; Wen, Dongwa; Deng, Yabo; Chen, Hui; Wang, Kairong; Yan, Wenjin
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2019
• Journal volume: 17
• Journal issue: 11
• Pages of publication: 2892 - 2895
• a: 12.4079 ± 0.0007 Å
• b: 12.825 ± 0.0007 Å
• c: 12.9266 ± 0.0008 Å
• α: 97.287 ± 0.005°
• β: 100.642 ± 0.005°
• γ: 93.026 ± 0.005°
• Cell volume: 1999.2 ± 0.2 ų
• Cell temperature: 298.84 ± 0.1 K
• Ambient diffraction temperature: 298.84 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1146
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.1032
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No