Information card for entry 2003592

Structure parameters

• Chemical name: (±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide
• Formula: C17 H19 N O2
• Calculated formula: C17 H19 N O2
• SMILES: N(C)(C)C(=O)[C@@H]([C@H](O)c1ccccc1)c1ccccc1.N(C)(C)C(=O)[C@H]([C@@H](O)c1ccccc1)c1ccccc1
• Title of publication: (±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide
• Authors of publication: Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 6
• Pages of publication: 1169 - 1170
• a: 6.537 ± 0.004 Å
• b: 15.04 ± 0.009 Å
• c: 14.572 ± 0.01 Å
• α: 90°
• β: 92.92 ± 0.05°
• γ: 90°
• Cell volume: 1430.8 ± 1.6 ų
• Cell temperature: 291 K
• Ambient diffraction temperature: 291 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0705
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.0916
• Weighted residual factors for significantly intense reflections: 0.068
• Goodness-of-fit parameter for significantly intense reflections: 0.73
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No