Information card for entry 8102320

Structure parameters

• Chemical name: (+)-(2S,3S,1'S)-2-ethyl-N-(1-hydroxymethyl-2-methylpropyl)-2-methyl-3- phenyl-3-phenylamino propanamide
• Formula: C23 H32 N2 O2
• Calculated formula: C23 H32 N2 O2
• SMILES: O=C(N[C@H](CO)C(C)C)[C@](C)([C@@H](Nc1ccccc1)c1ccccc1)CC
• Title of publication: Crystal structure of (+)-(2S,3S,1'S)-2-ethyl-N-(1-hydroxymethyl-2-methylpropyl)-2-methyl-3-phenyl-3-phenylamino propanamide, C23H32N2O2
• Authors of publication: Vito Capriati; Leonardo Degennaro; Saverio Florio; Renzo Luisi; Corrado Cuocci; Gaetano Campi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 481
• a: 6.587 Å
• b: 13.118 Å
• c: 25.322 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2188.03 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: 0.1442
• Residual factor for significantly intense reflections: 0.0775
• Weighted residual factors for significantly intense reflections: 0.1807
• Weighted residual factors for all reflections included in the refinement: 0.2171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No