Information card for entry 2019596

Structure parameters

• Common name: L-Aspartate chloride
• Chemical name: <i>L</i>-Aspartic acid hydrochloride
• Formula: C4 H8 Cl N O4
• Calculated formula: C4 H8 Cl N O4
• SMILES: [Cl-].OC(=O)[C@@H]([NH3+])CC(=O)O
• Title of publication: A comparative study of two polymorphs of <small>L</small>-aspartic acid hydrochloride
• Authors of publication: Benali-Cherif, Rim; Takouachet, Radhwane; Bendeif, El-Eulmi; Benali-Cherif, Nourredine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 7
• Pages of publication: 689 - 692
• a: 5.5888 ± 0.0005 Å
• b: 5.6045 ± 0.0006 Å
• c: 6.1697 ± 0.0007 Å
• α: 114.57 ± 0.01°
• β: 97.752 ± 0.009°
• γ: 95.72 ± 0.008°
• Cell volume: 171.52 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0537
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes