Information card for entry 7150382

Structure parameters

• Formula: C14 H14 F3 N O2
• Calculated formula: C14 H14 F3 N O2
• SMILES: [C@]1(N(C(=O)[C@@H]2[C@H]1CC2)Cc1ccccc1)(O)C(F)(F)F.[C@@]1(N(C(=O)[C@H]2[C@@H]1CC2)Cc1ccccc1)(O)C(F)(F)F
• Title of publication: Nucleophilic trifluoromethylation of cyclic imides using (trifluoromethyl)trimethylsilane CF3SiMe3.
• Authors of publication: Hoffmann-Röder, Anja; Seiler, Paul; Diederich, François
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2004
• Journal volume: 2
• Journal issue: 16
• Pages of publication: 2267 - 2269
• a: 6.4271 ± 0.0003 Å
• b: 7.7669 ± 0.0004 Å
• c: 14.1095 ± 0.0008 Å
• α: 95.29 ± 0.002°
• β: 94.206 ± 0.002°
• γ: 111.866 ± 0.002°
• Cell volume: 646.44 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.127
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 0.931
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No