Information card for entry 7202308

Structure parameters

• Common name: ((R)-1-phenylethylammonium) 2-naphthalenecarboxylate
• Chemical name: ((R)-1-phenylethylammonium) 2-naphthalenecarboxylate
• Formula: C19 H19 N O2
• Calculated formula: C19 H19 N O2
• SMILES: c1c(ccc2ccccc12)C(=O)[O-].c1(ccccc1)[C@@H](C)[NH3+]
• Title of publication: Structural and melting point characterisation of six chiral ammonium naphthalene carboxylate salts
• Authors of publication: Lemmerer, Andreas; Bourne, Susan A.; Fernandes, Manuel A.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 1605
• a: 6.3682 ± 0.0013 Å
• b: 14.511 ± 0.003 Å
• c: 17.457 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1613.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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
• Residual factor for all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1277
• Weighted residual factors for all reflections included in the refinement: 0.1334
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No