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Information card for entry 2200640
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| Coordinates | 2200640.cif |
|---|---|
| Structure factors | 2200640.hkl |
| Original IUCr paper | HTML |
| Common name | L-phenylalaninium maleate |
|---|---|
| Chemical name | L-Phenylalaninium maleate |
| Formula | C13 H15 N O6 |
| Calculated formula | C13 H15 N O6 |
| SMILES | OC(=O)[C@H]([NH3+])Cc1ccccc1.OC(=O)/C=C/C(=O)[O-] |
| Title of publication | <small>L</small>-Phenylalaninium maleate |
| Authors of publication | M. Alagar; R. V. Krishnakumar; S. Natarajan |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2001 |
| Journal volume | 57 |
| Journal issue | 10 |
| Pages of publication | o968 - o970 |
| a | 11.056 ± 0.0009 Å |
| b | 5.3326 ± 0.0004 Å |
| c | 11.4712 ± 0.0007 Å |
| α | 90 ± 0.01° |
| β | 101.07 ± 0.01° |
| γ | 90 ± 0.01° |
| Cell volume | 663.73 ± 0.09 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 | 0.03 |
| Residual factor for significantly intense reflections | 0.028 |
| Weighted residual factors for all reflections included in the refinement | 0.078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|
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