Information card for entry 7122197

Structure parameters

• Formula: C12 N18 O8
• Calculated formula: C12 N18 O8
• Title of publication: A novel method to synthesize stable nitrogen-rich polynitrobenzenes with π-stacking for high-energy-density energetic materials.
• Authors of publication: Yang, Xiaoming; Lin, Xinyu; Yang, Li; Zhang, Tonglai
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 73
• Pages of publication: 10296 - 10299
• a: 9.3869 ± 0.0019 Å
• b: 15.742 ± 0.003 Å
• c: 25.114 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3711.1 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 3
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1278
• Residual factor for significantly intense reflections: 0.1082
• Weighted residual factors for significantly intense reflections: 0.1811
• Weighted residual factors for all reflections included in the refinement: 0.1893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.284
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No