Information card for entry 2004244

Structure parameters

• Chemical name: L-Gylcyl-L-Glutamine monohydrate
• Formula: C7 H15 N3 O5
• Calculated formula: C7 H15 N3 O5
• SMILES: [NH3+]CC(=O)N[C@@H](CCC(=O)N)C(=O)[O-].O
• Title of publication: <small>L</small>-Glycyl-<small>L</small>-Glutamine Monohydrate
• Authors of publication: Panneerselvam, K.; Soriano-García, M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 12
• Pages of publication: 2718 - 2720
• a: 5.415 ± 0.002 Å
• b: 11.618 ± 0.005 Å
• c: 15.558 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 978.8 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for all reflections: 0.09
• Weighted residual factors for significantly intense reflections: 0.0898
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No