Information card for entry 2200690

Structure parameters

• Common name: DL-phenylalaninium dihydrogen phosphate
• Chemical name: DL-phenylalaninium dihydrogen phosphate
• Formula: C9 H14 N O6 P
• Calculated formula: C9 H14 N O6 P
• SMILES: P(=O)([O-])(O)O.O=C(O)C([NH3+])Cc1ccccc1
• Title of publication: <small>DL</small>-Phenylalaninium dihydrogen phosphate
• Authors of publication: B. Ravikumar; B. Sridhar; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 11
• Pages of publication: o1078 - o1080
• a: 13.899 ± 0.007 Å
• b: 9.956 ± 0.008 Å
• c: 9.051 ± 0.002 Å
• α: 90°
• β: 108.726 ± 0.008°
• γ: 90°
• Cell volume: 1186.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0318
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes