Information card for entry 2005859

Structure parameters

• Common name: N-acetyl-L-glutamic acid
• Formula: C7 H11 N O5
• Calculated formula: C7 H11 N O5
• SMILES: OC(=O)CC[C@H](C(=O)O)NC(=O)C
• Title of publication: <i>N</i>-Acetyl-<small>L</small>-glutamic Acid
• Authors of publication: Dobson, A. J.; Gerkin, R. E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 73 - 76
• a: 4.898 ± 0.001 Å
• b: 12.925 ± 0.002 Å
• c: 13.875 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 878.4 ± 0.2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.039
• Goodness-of-fit parameter for significantly intense reflections: 1.66
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No