Information card for entry 2205705

Structure parameters

• Common name: L-Asparaginium picrate
• Chemical name: L-Asparaginium picrate
• Formula: C10 H11 N5 O10
• Calculated formula: C10 H11 N5 O10
• SMILES: O=C(O)[C@H](CC(=O)N)[NH3+].c1([O-])c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O
• Title of publication: <small>L</small>-Asparaginium picrate
• Authors of publication: K. Anitha; S. Athimoolam; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 5
• Pages of publication: o1463 - o1465
• a: 10.367 ± 0.004 Å
• b: 5.1611 ± 0.0007 Å
• c: 13.12 ± 0.003 Å
• α: 90°
• β: 93.2 ± 0.02°
• γ: 90°
• Cell volume: 700.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes