Information card for entry 1553733

Structure parameters

• Formula: C13 H20 F3 N O4 S2
• Calculated formula: C13 H20 F3 N O4 S2
• Title of publication: (1S)-(−)-N-Trifluoromethylthio-2,10-camphorsultam and its derivatives: easily available, optically pure reagents for asymmetric trifluoromethylthiolation
• Authors of publication: Zhang, He; Leng, Xuebing; Wan, Xiaolong; Shen, Qilong
• Journal of publication: Organic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 6
• Pages of publication: 1051
• a: 12.4266 ± 0.0017 Å
• b: 8.8229 ± 0.0012 Å
• c: 15.107 ± 0.002 Å
• α: 90°
• β: 105.7 ± 0.003°
• γ: 90°
• Cell volume: 1594.5 ± 0.4 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0862
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No