Information card for entry 2014574

Structure parameters

• Chemical name: L-Seryl-L-phenylalanine
• Formula: C12 H16 N2 O4
• Calculated formula: C12 H16 N2 O4
• SMILES: OC[C@H]([NH3+])C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-]
• Title of publication: <small>L</small>-Seryl-<small>L</small>-phenylalanine
• Authors of publication: Helle, Ina Høydal; Løkken, Camilla Victoria; Görbitz, Carl Henrik; Dalhus, Bjørn
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: o771 - o772
• a: 5.3382 ± 0.0013 Å
• b: 6.3827 ± 0.0016 Å
• c: 36.741 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1251.8 ± 0.5 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0438
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes