Information card for entry 2014328

Structure parameters

• Chemical name: L-phenylalanyl-L-serine
• Formula: C12 H16 N2 O4
• Calculated formula: C12 H16 N2 O4
• SMILES: O=C(N[C@H](CO)C(=O)[O-])[C@@H]([NH3+])Cc1ccccc1
• Title of publication: <small>L</small>-Isoleucyl-<small>L</small>-serine 0.33-hydrate, <small>L</small>-phenylalanyl-<small>L</small>-serine and <small>L</small>-methionyl-<small>L</small>-serine 0.34-hydrate
• Authors of publication: Görbitz, Carl Henrik; Bruvoll, Marius; Dizdarevic, Selma; Fimland, Nina; Hafizovic, Jasmina; Kalfjøs, Helen Therese; Krivokapic, Alexander; Vestli, Kristian
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 1
• Pages of publication: o22 - o25
• a: 7.6434 ± 0.0007 Å
• b: 5.7609 ± 0.0005 Å
• c: 13.4396 ± 0.0012 Å
• α: 90°
• β: 93.754 ± 0.004°
• γ: 90°
• Cell volume: 590.51 ± 0.09 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: 0.0329
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.084
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes