Information card for entry 7212495

Structure parameters

• Common name: L-alanyl-L-valine
• Chemical name: L-alanyl-L-valine
• Formula: C8 H16 N2 O3
• Calculated formula: C8 H16 N2 O3
• SMILES: [C@H](C)(C(=O)N[C@@H](C(C)C)C(=O)[O-])[NH3+]
• Title of publication: The effect of pressure on the porous peptide l-alanyl-l-valine
• Authors of publication: Moggach, Stephen A.; Görbitz, Carl Henrik; Warren, John E.
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2322
• a: 14.427 ± 0.0017 Å
• b: 14.427 ± 0.0017 Å
• c: 10.0102 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1804.4 ± 0.4 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 4
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.1111
• Residual factor for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections: 0.2188
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.2188
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No