Information card for entry 7238133

Structure parameters

• Common name: L-Valyl-L-serine trifluoroethanol solvate
• Chemical name: L-Valyl-L-serine trifluoroethanol solvate
• Formula: C8.28 H16 F0.85 N2 O4.13
• Calculated formula: C8.27967 H16 F0.855 N2 O4.12933
• Title of publication: Monoclinic nanoporous crystal structures for l-valyl‒l-alanine acetonitrile solvate hydrate and l-valyl‒l-serine trifluoroethanol solvate
• Authors of publication: Görbitz, Carl Henrik
• Journal of publication: CrystEngComm
• Year of publication: 2005
• Journal volume: 7
• Journal issue: 111
• Pages of publication: 670
• a: 14.0668 ± 0.0013 Å
• b: 9.8053 ± 0.001 Å
• c: 14.1915 ± 0.0014 Å
• α: 90°
• β: 116.172 ± 0.002°
• γ: 90°
• Cell volume: 1756.7 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 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: 0.0601
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No