Information card for entry 2002993

Structure parameters

• Chemical name: L-leucyl-L-valine 2-propanol (1:1)
• Formula: C14 H30 N2 O4
• Calculated formula: C14 H30 N2 O4
• Title of publication: Symmetry, pseudosymmetry and packing disorder in the alcohol solvates of <small>L</small>-leucyl-<small>L</small>-valine
• Authors of publication: Görbitz, Carl Henrik; Torgersen, Eirin
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 1
• Pages of publication: 104 - 113
• a: 5.1709 ± 0.0001 Å
• b: 14.6136 ± 0.0002 Å
• c: 22.423 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1694.4 ± 0.05 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: 0.0796
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections: 0.1358
• Weighted residual factors for significantly intense reflections: 0.1225
• Goodness-of-fit parameter for all reflections: 1.106
• Goodness-of-fit parameter for significantly intense reflections: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes