Information card for entry 7229107

Structure parameters

• Formula: C9 H20 N2 O4
• Calculated formula: C9 H20 N2 O4
• Title of publication: Polymorphism of the quasiracemate d-2-aminobutyric acid:l-norvaline
• Authors of publication: Smets, M. M. H.; Kalkman, E.; Tinnemans, P.; Krieger, A. M.; Meekes, H.; Cuppen, H. M.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• a: 26.39 ± 0.004 Å
• b: 4.7685 ± 0.0007 Å
• c: 9.8738 ± 0.0014 Å
• α: 90°
• β: 102.406 ± 0.005°
• γ: 90°
• Cell volume: 1213.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0383
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0882
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No