Information card for entry 2200969

Structure parameters

• Common name: L-phenylalanine L-phenylalanium dihydrogen phosphate
• Chemical name: L-phenylalanine L-phenylalanium dihydrogen phosphate
• Formula: C18 H25 N2 O8 P
• Calculated formula: C18 H25 N2 O8 P
• SMILES: P(=O)(O)([O-])O.[O-]C(=O)[C@@H]([NH3+])Cc1ccccc1.O=C(O)[C@@H]([NH3+])Cc1ccccc1
• Title of publication: <small>L</small>-Phenylalanine <small>L</small>-phenylalaninium dihydrogenphosphate
• Authors of publication: Ravikumar, B.; Sridhar, B.; Rajaram, R.K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 2
• Pages of publication: o123 - o125
• a: 13.441 ± 0.001 Å
• b: 4.876 ± 0.0004 Å
• c: 15.47 ± 0.002 Å
• α: 90°
• β: 97.12 ± 0.01°
• γ: 90°
• Cell volume: 1006.06 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.135
• Weighted residual factors for all reflections included in the refinement: 0.184
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes