Information card for entry 2241631

Structure parameters

• Chemical name: <i>L</i>-Leucyl-<i>L</i>-isoleucine 2,2,2-trifluoroethanol monosolvate
• Formula: C14 H27 F3 N2 O4
• Calculated formula: C14 H27 F3 N2 O4
• Title of publication: Crystal structure of <small>L</small>-leucyl-<small>L</small>-isoleucine 2,2,2-trifluoroethanol monosolvate
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 5
• Pages of publication: 635 - 638
• a: 10.947 ± 0.003 Å
• b: 12.999 ± 0.004 Å
• c: 12.44 ± 0.004 Å
• α: 90°
• β: 101.833 ± 0.004°
• γ: 90°
• Cell volume: 1732.6 ± 0.9 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes