Information card for entry 2201875

Structure parameters

• Common name: DL-phenylalaninium maleate
• Formula: C13 H15 N O6
• Calculated formula: C13 H15 N O6
• SMILES: OC(=O)C([NH3+])Cc1ccccc1.OC(=O)/C=C/C(=O)[O-]
• Title of publication: <small>DL</small>-Phenylalaninium maleate at 123K
• Authors of publication: M. Alagar; M. Subha Nandhini; R. V. Krishnakumar; A. Mostad; S. Natarajan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 2
• Pages of publication: o209 - o211
• a: 12.308 ± 0.003 Å
• b: 5.9942 ± 0.0012 Å
• c: 18.061 ± 0.004 Å
• α: 90°
• β: 99.15 ± 0.03°
• γ: 90°
• Cell volume: 1315.5 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.1261
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.128
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes