Information card for entry 2004822

Structure parameters

• Common name: DL-GLUTAMINE
• Chemical name: DL-GLUTAMINE
• Formula: C5 H10 N2 O3
• Calculated formula: C5 H10 N2 O3
• SMILES: O=C([O-])C([NH3+])CCC(=O)N
• Title of publication: <small>DL</small>-Glutamine
• Authors of publication: Suresh, S.; Padmanabhan, S.; Vijayan, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1313 - 1316
• a: 16.051 ± 0.002 Å
• b: 4.6538 ± 0.001 Å
• c: 9.9373 ± 0.0012 Å
• α: 90°
• β: 106.484 ± 0.009°
• γ: 90°
• Cell volume: 711.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections: 0.1304
• Weighted residual factors for significantly intense reflections: 0.1185
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.153
• Diffraction radiation wavelength: 0.71068 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No