Information card for entry 1554862

Structure parameters

• Formula: C27 H27 F3 N2 O8
• Calculated formula: C27 H27 F3 N2 O8
• SMILES: FC(F)(F)CCCC(CC(ON1C(=O)c2ccccc2C1=O)C(=O)N(C)c1ccccc1)(C(=O)OC)C(=O)OC
• Title of publication: Metal-free direct 1,6- and 1,2-difunctionalization triggered by radical trifluoromethylation of alkenes.
• Authors of publication: Huang, Lin; Zheng, Sheng-Cai; Tan, Bin; Liu, Xin-Yuan
• Journal of publication: Organic letters
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1589 - 1592
• a: 8.5362 ± 0.0003 Å
• b: 11.0883 ± 0.0005 Å
• c: 14.8339 ± 0.001 Å
• α: 89.337 ± 0.006°
• β: 75.808 ± 0.005°
• γ: 89.011 ± 0.006°
• Cell volume: 1360.96 ± 0.12 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1057
• Residual factor for significantly intense reflections: 0.0873
• Weighted residual factors for significantly intense reflections: 0.2181
• Weighted residual factors for all reflections included in the refinement: 0.2574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.457
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No