Information card for entry 4102384

Structure parameters

• Formula: C28 H24 F3 N O2
• Calculated formula: C28 H24 F3 N O2
• SMILES: FC(F)(F)C(=O)N[C@@H]1[C@@H]2[C@@H]([C@H]3[C@@H](c4c1cc(OC)cc4)c1c(C3)cccc1)c1c(C2)cccc1.FC(F)(F)C(=O)N[C@H]1[C@H]2[C@H]([C@@H]3[C@H](c4c1cc(OC)cc4)c1c(C3)cccc1)c1c(C2)cccc1
• 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: 19.6843 ± 0.0007 Å
• b: 17.8444 ± 0.0005 Å
• c: 25.7736 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9053.1 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.082
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1205
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No