Information card for entry 7122895

Structure parameters

• Formula: C17 H17 Cl4 N O S
• Calculated formula: C17 H17 Cl4 N O S
• Title of publication: Benzyne-Mediated Trichloromethylation of Chiral Oxazolines
• Authors of publication: Huang, Xin; Zhao, Weizhao; Chen, De-Li; Zhan, Yaling; Zeng, Tingting; Jin, Huiquan; Peng, Bo
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 9.1331 ± 0.0004 Å
• b: 10.0289 ± 0.0005 Å
• c: 40.907 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3746.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0324
• Residual factor for significantly intense reflections: 0.0314
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 3.524
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No