Information card for entry 1558463

Structure parameters

• Formula: C22 H27 F3 N2 O2
• Calculated formula: C22 H27 F3 N2 O2
• SMILES: FC(F)(F)C(=O)[O-].[NH+]12N(C3CCC1CC3)[C@H]1[C@@H]([C@H]2c2ccccc2)[C@@H]2CC[C@H]1C2.FC(F)(F)C(=O)[O-].[NH+]12N(C3CCC1CC3)[C@@H]1[C@H]([C@@H]2c2ccccc2)[C@H]2CC[C@@H]1C2
• Title of publication: Ring-Opening Carbonyl-Olefin Metathesis of Norbornenes
• Authors of publication: Jermaks, Janis; Quach, Phong; Seibel, Zara M.; Pomarole, Julien; Lambert, Tristan
• Journal of publication: Chemical Science
• Year of publication: 2020
• a: 11.3691 ± 0.0001 Å
• b: 13.8088 ± 0.0001 Å
• c: 12.4633 ± 0.0001 Å
• α: 90°
• β: 95.417 ± 0.001°
• γ: 90°
• Cell volume: 1947.92 ± 0.03 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No