Information card for entry 2221412

Structure parameters

• Chemical name: (1'<i>S</i>,2<i>R</i>,3<i>R</i>)-(-)-2-Hydroxy-3-morpholino-3-phenyl- <i>N</i>-(1'-phenylethyl)propionamide
• Formula: C21 H26 N2 O3
• Calculated formula: C21 H26 N2 O3
• SMILES: O[C@@H](C(=O)N[C@H](c1ccccc1)C)[C@H](N1CCOCC1)c1ccccc1
• Title of publication: (1'<i>S</i>,2<i>R</i>,3<i>R</i>)-({-})-2-Hydroxy-3-morpholino-3-phenyl-<i>N</i>-(1'-phenylethyl)propionamide
• Authors of publication: Mendoza, Angel; Aparicio, David M.; Terán, Joel L.; Gnecco, Dino; Juárez, Jorge R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 4
• Pages of publication: o743
• a: 6.001 ± 0.0017 Å
• b: 15.659 ± 0.003 Å
• c: 20.746 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1949.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.154
• Residual factor for significantly intense reflections: 0.0544
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 0.89
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes