Information card for entry 4021887

Structure parameters

• Formula: C30 H31 N O
• Calculated formula: C30 H31 N O
• SMILES: O[C@H](Cc1ccccc1)[C@@H](N(Cc1ccccc1)Cc1ccccc1)Cc1ccccc1
• Title of publication: Synthesis of Enantiopure (αS,βS)- or (αR,βR)-Amino Alcohols by Complete Regioselective Opening of Aminoepoxides by Organolithium Reagents LiAlH~4~ ir LiAlD~4~
• Authors of publication: José M. Concellón; Pablo L. Bernad; Virginia del Solar; José Ramón Suárez; Santiago García-Granda; M. Rosario Díaz
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6420 - 6426
• a: 31.582 ± 0.0008 Å
• b: 7.466 ± 0.0002 Å
• c: 11.068 ± 0.0002 Å
• α: 90°
• β: 109.485 ± 0.002°
• γ: 90°
• Cell volume: 2460.27 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0883
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No