Information card for entry 2200170

Structure parameters

• Chemical name: L-Phenylalanine nitrate (4/1)
• Formula: C9 H11.25 N1.25 O2.75
• Calculated formula: C9 H11.25 N1.25 O2.75
• SMILES: O=C(O)[C@@H]([NH3+])Cc1ccccc1.[O-]C(=O)[C@@H]([NH3+])Cc1ccccc1.[O-]C(=O)[C@@H]([NH3+])Cc1ccccc1.[O-]C(=O)[C@@H]([NH3+])Cc1ccccc1.O=N(=O)[O-]
• Title of publication: <small>L</small>-Phenylalanine nitrate (4/1)
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: o192 - o194
• a: 30.285 ± 0.008 Å
• b: 5.3022 ± 0.0013 Å
• c: 22.317 ± 0.006 Å
• α: 90°
• β: 102.263 ± 0.004°
• γ: 90°
• Cell volume: 3501.8 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.134
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for all reflections included in the refinement: 0.269
• Goodness-of-fit parameter for all reflections included in the refinement: 1.629
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No