Information card for entry 2100908

Structure parameters

• Formula: C16 H19 N O3
• Calculated formula: C16 H19 N O3
• Title of publication: A study of two polymorphic modifications of (<i>S</i>)-1-phenylethylammonium (<i>S</i>)-mandelate and the structural features of diastereomeric mandelate salts
• Authors of publication: Larsen, S.; de Diego, H. L.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 2
• Pages of publication: 303 - 309
• a: 8.322 ± 0.004 Å
• b: 6.801 ± 0.002 Å
• c: 12.885 ± 0.003 Å
• α: 90°
• β: 91.74 ± 0.03°
• γ: 90°
• Cell volume: 728.9 ± 0.4 ų
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cu
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No