Information card for entry 2207177

Structure parameters

• Chemical name: 5-Methyl L-glutamate
• Formula: C6 H11 N O4
• Calculated formula: C6 H11 N O4
• SMILES: C(=O)([C@H](CCC(=O)OC)[NH3+])[O-]
• Title of publication: 5-Methyl <small>L</small>-glutamate
• Authors of publication: Wu, Yong-Fei; Li, Fen-Fang; Jin, Long-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: o3752 - o3753
• a: 10.286 ± 0.003 Å
• b: 4.6163 ± 0.0011 Å
• c: 17.111 ± 0.004 Å
• α: 90°
• β: 104.995 ± 0.004°
• γ: 90°
• Cell volume: 784.8 ± 0.3 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.147
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes