Information card for entry 2014809

Structure parameters

• Chemical name: DL-threonine‒arsenic acid (1/1)
• Formula: C4 H12 As N O7
• Calculated formula: C4 H12 As N O7
• SMILES: C(=O)([C@H]([C@@H](C)O)[NH3+])[O-].[As](=O)(O)(O)O.C(=O)([C@@H]([C@H](C)O)[NH3+])[O-].[As](=O)(O)(O)O
• Title of publication: A 1:1 adduct of <small>DL</small>-threonine and arsenic acid
• Authors of publication: Wilkinson, Hazel S.; Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m253 - m255
• a: 10.1195 ± 0.0006 Å
• b: 9.8062 ± 0.0006 Å
• c: 8.9643 ± 0.0006 Å
• α: 90°
• β: 99.098 ± 0.001°
• γ: 90°
• Cell volume: 878.37 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0665
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0795
• Weighted residual factors for all reflections included in the refinement: 0.087
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes