Information card for entry 2200640

Structure parameters

• Common name: L-phenylalaninium maleate
• Chemical name: L-Phenylalaninium maleate
• Formula: C13 H15 N O6
• Calculated formula: C13 H15 N O6
• SMILES: OC(=O)[C@H]([NH3+])Cc1ccccc1.OC(=O)/C=C/C(=O)[O-]
• Title of publication: <small>L</small>-Phenylalaninium maleate
• Authors of publication: M. Alagar; R. V. Krishnakumar; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o968 - o970
• a: 11.056 ± 0.0009 Å
• b: 5.3326 ± 0.0004 Å
• c: 11.4712 ± 0.0007 Å
• α: 90 ± 0.01°
• β: 101.07 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 663.73 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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
• Residual factor for all reflections: 0.03
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for all reflections included in the refinement: 0.078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes