Information card for entry 7056225

Structure parameters

• Formula: C34 H28 N8 O24
• Calculated formula: C34 H28 N8 O24
• Title of publication: 14,16,34,36,54,56,74,76-octanitro-2,4,6,8-tetraoxa-1,3,5,7(1,3) -tetrabenzenacyclooctaphane and its derivatives: Thermally Stable Explosive with Outstanding Properties
• Authors of publication: Zhang, Cheng Xing; Cheng, Guangbin; xiong, hualin; yang, hongwei
• Journal of publication: New J. Chem.
• Year of publication: 2017
• a: 11.2554 ± 0.0006 Å
• b: 19.5586 ± 0.0009 Å
• c: 20.6007 ± 0.001 Å
• α: 99.125 ± 0.002°
• β: 98.574 ± 0.002°
• γ: 95.584 ± 0.002°
• Cell volume: 4393.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.1398
• Residual factor for significantly intense reflections: 0.058
• Weighted residual factors for significantly intense reflections: 0.1148
• Weighted residual factors for all reflections included in the refinement: 0.1429
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No