Information card for entry 1545497

Structure parameters

• Chemical name: Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)
• Formula: C6 H11 N O6
• Calculated formula: C6 H11 N O6
• Title of publication: Piperazine-1,4-diium bis(3-carboxy-2,3-dihydroxypropanoate)
• Authors of publication: Asserar, Fatima; Guenoun, Farhate; Sekkat, Chakib; Labrim, Hicham; Marah, Hamid; Zouihri, Hafid; Yamni, Khalid
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 2
• Pages of publication: x170249
• a: 7.5446 ± 0.0001 Å
• b: 7.5446 ± 0.0001 Å
• c: 27.6498 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1573.85 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1171
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes