Information card for entry 2011619

Structure parameters

• Chemical name: L-Phenylalanyl-L-valine
• Formula: C14 H20 N2 O3
• Calculated formula: C14 H20 N2 O3
• SMILES: O=C(N[C@@H](C(C)C)C(=O)[O-])[C@@H]([NH3+])Cc1ccccc1
• Title of publication: An NH~3~^+^···phenyl interaction in <small>L</small>-phenylalanyl-<small>L</small>-valine
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 12
• Pages of publication: 1496 - 1498
• a: 5.0955 ± 0.0003 Å
• b: 13.2155 ± 0.0007 Å
• c: 20.167 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1358.04 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.03
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for all reflections included in the refinement: 0.0703
• 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