Information card for entry 1506005

Structure parameters

• Formula: C21 H18 Br F3 N O P
• Calculated formula: C21 H18 Br F3 N O P
• SMILES: Brc1ccc([C@](C(F)(F)F)(NP(=O)(c2ccccc2)c2ccccc2)C)cc1
• Title of publication: Catalytic asymmetric synthesis of alpha,alpha,alpha-trifluoromethylamines by the copper-catalyzed nucleophilic addition of diorganozinc reagents to imines.
• Authors of publication: Lauzon, Caroline; Charette, André B
• Journal of publication: Organic letters
• Year of publication: 2006
• Journal volume: 8
• Journal issue: 13
• Pages of publication: 2743 - 2745
• a: 8.804 ± 0.002 Å
• b: 11.544 ± 0.003 Å
• c: 20.381 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.4 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0379
• Weighted residual factors for all reflections included in the refinement: 0.0473
• Goodness-of-fit parameter for all reflections included in the refinement: 0.501
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No