Information card for entry 8102321

Structure parameters

• Chemical name: (2R^*^,3R^*^)-3-Amino-2-ethyl-N-(2-hydroxy-1,1-dimethylethyl)-3-p- methoxyphenylpropanamide
• Formula: C17 H28 N2 O3
• Calculated formula: C17 H28 N2 O3
• SMILES: O=C(NC(C)(C)CO)[C@@]([C@H](c1ccc(OC)cc1)N)(C)CC.O=C(NC(C)(C)CO)[C@]([C@@H](c1ccc(OC)cc1)N)(C)CC
• Title of publication: Crystal structure of (2R*,3R*)-3-amino-2-ethyl-N-(2- hydroxy-1,1-dimethylethyl)-3-p-methoxyphenylpropanamide, C17H28N2O3
• Authors of publication: Vito Capriati; Leonardo Degennaro; Saverio Florio; Renzo Luisi; Anna Moliterni; Rosanna Rizzi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 483
• a: 6.098 Å
• b: 11.703 Å
• c: 12.721 Å
• α: 81.95°
• β: 80.11°
• γ: 77.35°
• Cell volume: 867.665 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1324
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1116
• Weighted residual factors for all reflections included in the refinement: 0.1386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No