Information card for entry 7708241

Structure parameters

• Formula: C5 H6 N10 O
• Calculated formula: C5 H6 N10 O
• 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: 6.8113 ± 0.0009 Å
• b: 8.2072 ± 0.001 Å
• c: 8.5119 ± 0.0012 Å
• α: 108.619 ± 0.005°
• β: 109.314 ± 0.005°
• γ: 92.75 ± 0.005°
• Cell volume: 419.23 ± 0.1 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0782
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No