Information card for entry 2010230

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• Title of publication: (<i>R</i>,<i>S</i>)-1-Phenylethylammonium (<i>S</i>)-mandelate
• Authors of publication: Diego, H. Lopez de
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 12
• Pages of publication: 1995 - 1998
• a: 25.543 ± 0.004 Å
• b: 6.5659 ± 0.0008 Å
• c: 8.6913 ± 0.0012 Å
• α: 90°
• β: 93.663 ± 0.011°
• γ: 90°
• Cell volume: 1454.7 ± 0.4 ų
• Cell temperature: 122 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1487
• Goodness-of-fit parameter for significantly intense reflections: 1.059
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No