Information card for entry 2200791

Structure parameters

• Common name: L-Phenylalanine‒nitric acid (2/1)
• Chemical name: L-Phenylalanine‒nitric acid (2/1)
• Formula: C18 H23 N3 O7
• Calculated formula: C18 H16 N3 O7
• SMILES: N(=O)(=O)[O-].O=C(O)[C@@H]([N+])Cc1ccccc1.O=C([O-])[C@@H]([N+])Cc1ccccc1
• Title of publication: <small>L</small>-Phenylalanine‒nitric acid (2/1)
• Authors of publication: Srinivasan, N.; Sridhar, B.; Rajaram, R. K.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 10
• Pages of publication: o916 - o918
• a: 12.536 ± 0.016 Å
• b: 5.378 ± 0.004 Å
• c: 14.962 ± 0.009 Å
• α: 90°
• β: 107.83 ± 0.08°
• γ: 90°
• Cell volume: 960.3 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.093
• Residual factor for significantly intense reflections: 0.069
• Weighted residual factors for all reflections included in the refinement: 0.22
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No