Information card for entry 4105458

Structure parameters

• Formula: C19 H29 F9 N4 O9 S3
• Calculated formula: C19 H29 F9 N4 O9 S3
• SMILES: S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N(c1cc2[n+]3c([N+](CCC3CC[N+]2(C)C)(C)C)c1)(C)C
• Title of publication: Amidine Dications as Superelectrophiles
• Authors of publication: Michael J. Corr; Mark D. Roydhouse; Kirsty F. Gibson; Sheng-ze Zhou; Alan R. Kennedy; John A. Murphy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 17980 - 17985
• a: 10.6076 ± 0.0003 Å
• b: 14.4559 ± 0.0004 Å
• c: 18.4307 ± 0.0006 Å
• α: 90°
• β: 93.899 ± 0.003°
• γ: 90°
• Cell volume: 2819.67 ± 0.14 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• 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: 0.1024
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.1039
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No