Information card for entry 2228286

Structure parameters

• Chemical name: Piperazine-2,3,5,6-tetraone
• Formula: C4 H2 N2 O4
• Calculated formula: C4 H2 N2 O4
• SMILES: O=C1NC(=O)C(=O)NC1=O
• Title of publication: Piperazine-2,3,5,6-tetraone
• Authors of publication: Jia, Jing-Jing; Meng, Xiu-Jin; Liang, Shi-Zhang; Zhang, Shu-Hua; Jiang, Yi-Min
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3315
• a: 5.163 ± 0.001 Å
• b: 8.622 ± 0.0017 Å
• c: 5.654 ± 0.0011 Å
• α: 90°
• β: 105.25 ± 0.03°
• γ: 90°
• Cell volume: 242.83 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes