Information card for entry 1503353

Structure parameters

• Formula: C19 H24 N O2 P
• Calculated formula: C19 H24 N O2 P
• SMILES: [P@@](=O)(N(C(C)C)C(C)C)(c1ccccc1)c1ccccc1C=O
• Title of publication: Enantioselective desymmetrization of diphenylphosphinamides via (-)-sparteine-mediated ortho-lithiation. Synthesis of P-chiral ligands.
• Authors of publication: Popovici, Cristinel; Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; García-Granda, Santiago; Iglesias, María José; López Ortiz, Fernando
• Journal of publication: Organic letters
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 3
• Pages of publication: 428 - 431
• a: 7.5789 ± 0.0001 Å
• b: 15.4126 ± 0.0002 Å
• c: 15.8221 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1848.19 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0457
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.0757
• Weighted residual factors for all reflections included in the refinement: 0.0812
• Goodness-of-fit parameter for all reflections included in the refinement: 0.929
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No