Information card for entry 2240346

Structure parameters

• Common name: γ-Ethyl-<i>L</i>-glutamate <i>N</i>-carboxy anhydride
• Chemical name: (<i>S</i>)-4-[2-(Ethoxycarbonyl)ethyl]-1,3-oxazolidine-2,5-dione
• Formula: C8 H11 N O5
• Calculated formula: C8 H11 N O5
• SMILES: O=C1OC(=O)[C@@H](N1)CCC(=O)OCC
• Title of publication: Crystal structure of γ-ethyl-<small>L</small>-glutamate <i>N</i>-carboxy anhydride
• Authors of publication: Kanazawa, Hitoshi; Inada, Aya
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 1
• Pages of publication: 110 - 112
• a: 7.9337 ± 0.0019 Å
• b: 20.581 ± 0.005 Å
• c: 5.8405 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 953.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes