Information card for entry 2101634

Structure parameters

• Chemical name: L-valyl-L-glutamine
• Formula: C10 H19 N3 O4
• Calculated formula: C10 H19 N3 O4
• SMILES: O=C(N[C@H](C(=O)[O-])CCC(=O)N)[C@@H]([NH3+])C(C)C
• Title of publication: Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine
• Authors of publication: Görbitz, C. H.; Backe, P. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 999 - 1006
• a: 16.419 ± 0.003 Å
• b: 15.309 ± 0.003 Å
• c: 4.708 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1183.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0858
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.0999
• Weighted residual factors for significantly intense reflections: 0.0906
• Goodness-of-fit parameter for all reflections: 1.004
• Goodness-of-fit parameter for significantly intense reflections: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No