Information card for entry 7237136

Structure parameters

• Formula: C9 H5.5 N8.5 O8
• Calculated formula: C9 H5.5 N8.5 O8
• Title of publication: Ring closure of polynitroazoles via an N,N′-alkylene bridge: towards high thermally stable energetic compounds
• Authors of publication: Tang, Yongxing; He, Chunlin; Imler, Gregory H.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2018
• Journal volume: 6
• Journal issue: 18
• Pages of publication: 8382
• a: 8.443 ± 0.002 Å
• b: 8.443 ± 0.002 Å
• c: 33.962 ± 0.007 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 120 ± 0.03°
• Cell volume: 2096.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No