Information card for entry 2211884

Structure parameters

• Chemical name: (R)-1-phenylethylammonium (R)-2-phenylbutyrate
• Formula: C18 H23 N O2
• Calculated formula: C18 H23 N O2
• SMILES: [O-]C(=O)[C@H](CC)c1ccccc1.[NH3+][C@H](C)c1ccccc1
• Title of publication: Powder study of (<i>R</i>)-1-phenylethylammonium (<i>R</i>)-2-phenylbutyrate form 3
• Authors of publication: Fernandes, Philippe; Florence, Alastair J.; Shankland, Kenneth; Karamertzanis, G. Panagiotis; Hulme, Ashley T.; Anandamanoharan, R. Parathy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o202 - o204
• a: 11.88215 ± 0.00015 Å
• b: 5.97647 ± 0.00008 Å
• c: 13.07499 ± 0.00015 Å
• α: 90°
• β: 113.51 ± 0.001°
• γ: 90°
• Cell volume: 851.42 ± 0.02 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 295 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
• Goodness-of-fit parameter for all reflections: 1.958
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No