Information card for entry 8105664

Structure parameters

• Chemical name: 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine
• Formula: C12 H16 N4 O12
• Calculated formula: C12 H16 N4 O12
• Title of publication: The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
• Authors of publication: Yunlu, Li; Mei, Xue; Jianlong, Wang; Luyao, Zhang; Jie, Ning
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 3
• Pages of publication: 417 - 418
• a: 16.0836 ± 0.0017 Å
• b: 8.0165 ± 0.0007 Å
• c: 14.7754 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1905.1 ± 0.3 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 55
• Hermann-Mauguin space group symbol: P b a m
• Hall space group symbol: -P 2 2ab
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No