Information card for entry 2018000

Structure parameters

• Chemical name: (<i>RS</i>)-1-phenylethylammonium naphthalene-1-carboxylate
• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: c1(cccc2ccccc12)C(=O)[O-].c1(ccccc1)C(C)[NH3+]
• Title of publication: Six two- and three-component ammonium carboxylate salt structures with a ladder-type hydrogen-bonding motif, three incorporating neutral carboxylic acid molecules
• Authors of publication: Lemmerer, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 3
• Pages of publication: o92 - o99
• a: 8.8979 ± 0.0009 Å
• b: 12.0013 ± 0.0008 Å
• c: 16.0498 ± 0.0015 Å
• α: 100.213 ± 0.005°
• β: 103.102 ± 0.003°
• γ: 90.652 ± 0.005°
• Cell volume: 1640.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections included in the refinement: 0.1347
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes