Information card for entry 2222965

Structure parameters

• Common name: DL-asparaginium perchlorate
• Chemical name: DL-Asparaginium perchlorate
• Formula: C4 H9 Cl N2 O7
• Calculated formula: C4 H9 Cl N2 O7
• SMILES: OC(=O)C([NH3+])CC(=O)N.Cl(=O)(=O)(=O)[O-]
• Title of publication: <small>DL</small>-Asparaginium perchlorate
• Authors of publication: Guenifa, Fatiha; Bendjeddou, Lamia; Cherouana, Aouatef; Dahaoui, Slimane; Lecomte, Claude
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2264 - o2265
• a: 9.861 ± 0.005 Å
• b: 10.289 ± 0.004 Å
• c: 16.7 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1694.4 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.046
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes