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Information card for entry 2200791
Preview
| Coordinates | 2200791.cif |
|---|---|
| Original IUCr paper | HTML |
| 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 Å3 |
| 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 |
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