Information card for entry 1503354

Structure parameters

• Formula: C44 H58 N4 O2 P2
• Calculated formula: C44 H58 N4 O2 P2
• SMILES: [P@](=O)(N(C(C)C)C(C)C)(c1c(cccc1)/C=N/[C@@H]1CCCC[C@H]1/N=C/c1c([P@](=O)(N(C(C)C)C(C)C)c2ccccc2)cccc1)c1ccccc1
• 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: 8.4417 ± 0.0001 Å
• b: 16.4362 ± 0.0002 Å
• c: 16.0375 ± 0.0002 Å
• α: 90°
• β: 103.244 ± 0.001°
• γ: 90°
• Cell volume: 2166.01 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No