Information card for entry 7056224

Structure parameters

• Formula: C48 H16 N16 O40
• Calculated formula: C48 H16 N16 O40
• 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: 19.468 ± 0.002 Å
• b: 12.1352 ± 0.0013 Å
• c: 11.6945 ± 0.0011 Å
• α: 90°
• β: 92.665 ± 0.004°
• γ: 90°
• Cell volume: 2759.8 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1183
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No