Information card for entry 2207595

Structure parameters

• Chemical name: 5-Ethyl L-glutamate
• Formula: C7 H13 N O4
• Calculated formula: C7 H13 N O4
• SMILES: C(=O)([C@H](CCC(=O)OCC)[NH3+])[O-]
• Title of publication: 5-Ethyl <small>L</small>-glutamate
• Authors of publication: Wu, Yong-Fei; Xiao Fengping; Jin, Long-Fei; Li, Fen-Fang; Dai, Xu-Ya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: o4028 - o4029
• a: 9.691 ± 0.003 Å
• b: 5.2631 ± 0.0017 Å
• c: 17.297 ± 0.006 Å
• α: 90°
• β: 90.752 ± 0.005°
• γ: 90°
• Cell volume: 882.2 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0748
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1636
• Weighted residual factors for all reflections included in the refinement: 0.1778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes