Information card for entry 2013579

Structure parameters

• Chemical name: L-Methionyl-L-alanine
• Formula: C8 H16 N2 O3 S
• Calculated formula: C7.99157 H15.9759 N2 O3 S0.999714
• Title of publication: <small>L</small>-Methionyl-<small>L</small>-alanine: a dipeptide with hexagonal symmetry and <i>Z</i>' = 7
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 10
• Pages of publication: o589 - o592
• a: 37.6488 ± 0.0015 Å
• b: 37.6488 ± 0.0015 Å
• c: 9.6613 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11859.6 ± 1.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.154
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes