Information card for entry 1504754

Structure parameters

• Formula: C27 H26 N O2 P
• Calculated formula: C27 H26 N O2 P
• SMILES: P(=O)(N([C@@H]([C@@H](O)c1ccccc1)c1ccccc1)C)(c1ccccc1)c1ccccc1
• Title of publication: Asymmetric deprotonation-substitution of N-Pop-benzylamines using [RLi/(-)-sparteine]. Enantioselective sequential reactions and synthesis of N-heterocycles.
• Authors of publication: Oña-Burgos, Pascual; Fernández, Ignacio; Roces, Laura; Torre-Fernández, Laura; García-Granda, Santiago; López-Ortiz, Fernando
• Journal of publication: Organic letters
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 15
• Pages of publication: 3195 - 3198
• a: 9.9856 ± 0.0004 Å
• b: 10.1967 ± 0.0004 Å
• c: 11.5731 ± 0.0005 Å
• α: 100.869 ± 0.003°
• β: 103.617 ± 0.003°
• γ: 90.203 ± 0.003°
• Cell volume: 1123.29 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0494
• Weighted residual factors for significantly intense reflections: 0.1184
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No