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CIF Information Card
Information card for 2200004
2200003 << 2200004 >> 2200005Preview
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Coordinates |
2200004.cif |
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Structure factors |
2200004.hkl |
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Original IUCr paper |
HTML |
Structure parameters
| Chemical name | L-Phenylalanine benzoic acid solvate |
| Formula | - C16 H17 N O4 - |
| Calculated formula | - C16 H17 N O4 - |
| Title of publication | <i>L</i>-Phenylalanine benzoic acid solvate |
| Authors of publication | J. Suresh; R. V. Krishnakumar; S. Natarajan |
| Journal of publication | Acta Crystallographica, Section E |
| Year of publication | 2005 |
| Journal volume | 61 |
| Journal issue | 11 |
| Pages of publication | o3625 - o3627 |
| a | 5.419 ± 0.002 Å |
| b | 7.438 ± 0.002 Å |
| c | 17.814 ± 0.003 Å |
| α | 90° |
| β | 92.94 ± 0.02° |
| γ | 90° |
| Cell volume | 717.1 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 4 |
| Hermann-Mauguin symmetry space group | P 1 21 1 |
| Hall symmetry space group | P 2yb |
| Residual factor for all reflections | 0.112 |
| Residual factor for observed reflections | 0.071 |
| Weighted residual factors for the observed reflections | 0.164 |
| Weighted residual factors for all reflections included in the refinement | 0.187 |
| Goodness-of-fit parameter for observed reflections | 1.12 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |