Information card for entry 1576345

Structure parameters

• Formula: C29 H25 N O3 S
• Calculated formula: C29 H25 N O3 S
• Title of publication: Enantioselective Synthesis of Vicinal Amino Alcohols Promoted by Fluorine-Containing Counteranions
• Authors of publication: Yang, Yu-Chen; Wu, Jia-Long; Zhang, Sheng-Ye; Sun, Teng; Liu, Xu; Zhao, Yanan; Wang, Lijia
• Journal of publication: Chemical Science
• Year of publication: 2025
• a: 7.5595 ± 0.0001 Å
• b: 15.9767 ± 0.0002 Å
• c: 19.4896 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2353.87 ± 0.06 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.035
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No