Information card for entry 7118746

Structure parameters

• Formula: C14 H14 F5 N O
• Calculated formula: C14 H14 F5 N O
• SMILES: FC(F)(C1(Cc2ccccc2)C(=O)N(CC1)C)C(F)(F)F
• Title of publication: Synthesis of quaternary α-perfluoroalkyl lactams via electrophilic perfluoroalkylation.
• Authors of publication: Katayev, D.; Václavík, J; Brüning, F; Commare, B.; Togni, A.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 21
• Pages of publication: 4049 - 4052
• a: 8.4914 ± 0.0008 Å
• b: 10.2896 ± 0.0009 Å
• c: 15.2108 ± 0.0013 Å
• α: 89.626 ± 0.003°
• β: 85.989 ± 0.003°
• γ: 89.673 ± 0.003°
• Cell volume: 1325.7 ± 0.2 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 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: 0.0769
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No