Information card for entry 7126457

Structure parameters

• Formula: C15 H14 F3 N O2 S
• Calculated formula: C15 H14 F3 N O2 S
• Title of publication: Three component hydroxyletherification and hydroxylazidation of (trifluoromethyl)alkenes: access to α-trifluoromethyl β-heteroatom substituted tertiary alcohols.
• Authors of publication: Zeng, Hao; Zhu, Chuanle; Liu, Chi; Cai, Yingying; Chen, Fulin; Jiang, Huanfeng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 46
• Pages of publication: 6241 - 6244
• a: 25.516 ± 0.003 Å
• b: 5.6738 ± 0.0005 Å
• c: 21.937 ± 0.002 Å
• α: 90°
• β: 110.176 ± 0.006°
• γ: 90°
• Cell volume: 2981 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1356
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.102
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No