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Information card for entry 2006341
Preview
| Coordinates | 2006341.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | (+)-α-methyl-4-carboxyphenylglycine |
|---|---|
| Formula | C10 H11 N O4 |
| Calculated formula | C10 H11 N O4 |
| SMILES | O=C([O-])[C@]([NH3+])(C)c1ccc(cc1)C(=O)O |
| Title of publication | Absolute Configuration of (+)-α-Methyl-4-carboxyphenylglycine (MCPG), a Metabotropic Glutamate Receptor Antagonist |
| Authors of publication | Wilson, Claire; Howard, Judith A. K.; Jane, David E.; Sunter, David C.; Watkins, Jeffrey C. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 1997 |
| Journal volume | 53 |
| Journal issue | 7 |
| Pages of publication | 909 - 911 |
| a | 8.698 ± 0.003 Å |
| b | 5.819 ± 0.003 Å |
| c | 10.032 ± 0.003 Å |
| α | 90° |
| β | 107.48 ± 0.03° |
| γ | 90° |
| Cell volume | 484.3 ± 0.3 Å3 |
| Cell temperature | 150 ± 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 | 0.0502 |
| Residual factor for significantly intense reflections | 0.0346 |
| Weighted residual factors for all reflections | 0.1397 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Goodness-of-fit parameter for all reflections | 1.065 |
| Goodness-of-fit parameter for significantly intense reflections | 1.001 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
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