Information card for entry 2006341

Structure parameters

• 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 ų
• 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