Information card for entry 2205370

Structure parameters

• Common name: DL-phenylalanine DL-phenylalaninium picrate
• Chemical name: DL-Phenylalanine DL-phenylalaninium picrate
• Formula: C24 H25 N5 O11
• Calculated formula: C24 H25 N5 O11
• SMILES: C(=O)(C(Cc1ccccc1)[NH3+])[O-].C(=O)(C(Cc1ccccc1)[NH3+])O.c1(cc(cc(c1[O-])N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: <small>DL</small>-Phenylalanine <small>DL</small>-phenylalaninium picrate
• Authors of publication: K. Anitha; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: o589 - o591
• a: 7.333 ± 0.003 Å
• b: 13.737 ± 0.003 Å
• c: 15.381 ± 0.006 Å
• α: 113.04 ± 0.02°
• β: 94.93 ± 0.04°
• γ: 105.23 ± 0.03°
• Cell volume: 1344.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.208
• Residual factor for significantly intense reflections: 0.062
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes