Information card for entry 4102381

Structure parameters

• Formula: C21 H20 F3 N O4
• Calculated formula: C21 H20 F3 N O4
• SMILES: FC(F)(F)C(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@H]2c2c(OC)c(OC)c(OC)cc12.FC(F)(F)C(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@@H]2c2c(OC)c(OC)c(OC)cc12
• Title of publication: Tandem Processes Identified from Reaction Screening: Nucleophilic Addition to Aryl N-Phosphinylimines Employing La(III)-TFAA Activation
• Authors of publication: Hidenori Kinoshita; Oscar J. Ingham; Winnie W. Ong; Aaron B. Beeler; John A. Porco
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 6412 - 6418
• a: 10.9153 ± 0.0012 Å
• b: 7.296 ± 0.0009 Å
• c: 23.168 ± 0.003 Å
• α: 90°
• β: 93.879 ± 0.006°
• γ: 90°
• Cell volume: 1840.8 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No