Information card for entry 2202490

Structure parameters

• Common name: N-Carboxy-DL-leucine anhydride
• Chemical name: 4-isobutyl-1,3-oxazolidine-2,5-dione
• Formula: C7 H11 N O3
• Calculated formula: C7 H11 N O3
• SMILES: O=C1OC(=O)C(N1)CC(C)C
• Title of publication: <i>N</i>-Carboxy-<small>DL</small>-leucine anhydride
• Authors of publication: Kanazawa, Hitoshi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 9
• Pages of publication: o1309 - o1311
• a: 9.878 ± 0.0009 Å
• b: 5.64 ± 0.002 Å
• c: 15.448 ± 0.002 Å
• α: 90°
• β: 105.844 ± 0.003°
• γ: 90°
• Cell volume: 827.9 ± 0.3 ų
• Cell temperature: 288 ± 2 K
• Ambient diffraction temperature: 288 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.054
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.159
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes