Information card for entry 1504756

Structure parameters

• Formula: C43 H37 F3 N O4 P
• Calculated formula: C43 H37 F3 N O4 P
• SMILES: [C@H]([C@H](c1ccccc1)OC(=O)[C@@](C(F)(F)F)(c1ccccc1)OC)(c1ccccc1)N(Cc1ccccc1)P(=O)(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: 13.7407 ± 0.0002 Å
• b: 15.7646 ± 0.0002 Å
• c: 17.2946 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3746.3 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0396
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No