Information card for entry 7708242

Structure parameters

• Formula: C5 H11 N13 O7
• Calculated formula: C5 H11 N13 O7
• Title of publication: Synthesis of nitrogen-rich and thermostable energetic materials based on hetarenecarboxylic acids
• Authors of publication: Lei, Caijin; Yang, Hongwei; Zhang, Qinghua; Cheng, Guangbin
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 6.5824 ± 0.0011 Å
• b: 9.6308 ± 0.0011 Å
• c: 11.1986 ± 0.0016 Å
• α: 77.516 ± 0.004°
• β: 75.288 ± 0.004°
• γ: 89.243 ± 0.003°
• Cell volume: 669.76 ± 0.17 ų
• Cell temperature: 160 K
• Ambient diffraction temperature: 160 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: 0.1151
• Residual factor for significantly intense reflections: 0.072
• Weighted residual factors for significantly intense reflections: 0.177
• Weighted residual factors for all reflections included in the refinement: 0.2144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No