Information card for entry 2211756

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 2
• Authors of publication: Fernandes, Philippe; Florence, Alastair; Shankland, Kenneth; Karamertzanis, Panos; Hulme, Ashley T; Anandamanoharan, Parathay
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: o247 - o249
• a: 6.062 ± 0.0001 Å
• b: 16.7794 ± 0.0003 Å
• c: 16.8881 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1717.8 ± 0.06 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 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
• Goodness-of-fit parameter for all reflections: 2.025
• Diffraction radiation wavelength: 1.54056 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No