Information card for entry 2204137

Structure parameters

• Common name: Bis(β-alanine) hydrogen picrate
• Chemical name: hydrogen picrate bis(β-alanine)
• Formula: C12 H17 N5 O11
• Calculated formula: C12 H17 N5 O11
• Title of publication: β-Alanine β-alaninium picrate
• Authors of publication: K. Anitha; B. Sridhar; R. K. Rajaram
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: o1630 - o1632
• a: 4.9515 ± 0.0004 Å
• b: 11.725 ± 0.002 Å
• c: 14.931 ± 0.002 Å
• α: 78 ± 0.01°
• β: 83.75 ± 0.01°
• γ: 82.45 ± 0.01°
• Cell volume: 837.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0937
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.1926
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes