Information card for entry 2019085

Structure parameters

• Common name: Abu-Ser, N-(L-2-aminobutyryl)-L-serine
• Chemical name: (<i>S</i>)-2-[(<i>S</i>)-2-Azaniumylbutanamido]-3-hydroxypropanoate
• Formula: C7 H14 N2 O4
• Calculated formula: C7 H14 N2 O4
• Title of publication: An unexpected tetragonal unit cell for <i>N</i>-(<small>L</small>-2-aminobutyryl)-<small>L</small>-serine
• Authors of publication: Görbitz, Carl Henrik; Yadav, Vitthal N.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: 888 - 891
• a: 18.335 ± 0.007 Å
• b: 18.335 ± 0.007 Å
• c: 5.141 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1728.3 ± 1.2 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 79
• Hermann-Mauguin space group symbol: I 4
• Hall space group symbol: I 4
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.08
• Weighted residual factors for significantly intense reflections: 0.1922
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes