Information card for entry 2014266

Structure parameters

• Chemical name: L-Seryl-L-valine
• Formula: C8 H16 N2 O4
• Calculated formula: C8 H16 N2 O4
• SMILES: OC[C@H]([NH3+])C(=O)N[C@@H](C(C)C)C(=O)[O-]
• Title of publication: A non-planar peptide bond in <small>L</small>-seryl-<small>L</small>-valine
• Authors of publication: Moen, Anders; Frøseth, Morten; Görbitz, Carl Henrik; Dalhus, Bjørn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 8
• Pages of publication: o564 - o565
• a: 5.383 ± 0.004 Å
• b: 6.315 ± 0.004 Å
• c: 15.588 ± 0.01 Å
• α: 90°
• β: 98.623 ± 0.006°
• γ: 90°
• Cell volume: 523.9 ± 0.6 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes