Information card for entry 2016490

Structure parameters

• Chemical name: L-Seryl-L-asparagine monohydrate
• Formula: C7 H15 N3 O6
• Calculated formula: C7 H15 N3 O6
• SMILES: OC[C@H]([NH3+])C(=O)N[C@@H](CC(=O)N)C(=O)[O-].O
• Title of publication: The monohydrates of the four polar dipeptides <small>L</small>-seryl-<small>L</small>-asparagine, <small>L</small>-seryl-<small>L</small>-tyrosine, <small>L</small>-tryptophanyl-<small>L</small>-serine and <small>L</small>-tyrosyl-<small>L</small>-tryptophan
• Authors of publication: Görbitz, Carl Henrik; Hartviksen, Lars Male
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 3
• Pages of publication: o171 - o176
• a: 4.7547 ± 0.0001 Å
• b: 7.5121 ± 0.0002 Å
• c: 8.5626 ± 0.0002 Å
• α: 115.691 ± 0.001°
• β: 90.266 ± 0.001°
• γ: 104.957 ± 0.001°
• Cell volume: 263.87 ± 0.011 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0668
• Weighted residual factors for all reflections included in the refinement: 0.0669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes