Information card for entry 7058446

Structure parameters

• Formula: C13 H2 F6 N6 O9
• Calculated formula: C13 H2 F6 N6 O9
• Title of publication: 1,3-Bis(3,4,5-trifluoro-2,6-dinitrophenyl)urea (ZXC-19): a multifluorine substituted propellant with superior detonation performance
• Authors of publication: Zhang, Xingcheng; Fu, Menglei; Zou, Fangfang; Hao, Jingyuan; Qu, Youle; Hu, Wenxiang; Zhou, Qiuju
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9623
• a: 12.2579 ± 0.0005 Å
• b: 9.7269 ± 0.0004 Å
• c: 29.1802 ± 0.0012 Å
• α: 90°
• β: 92.889 ± 0.004°
• γ: 90°
• Cell volume: 3474.8 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0634
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0963
• Weighted residual factors for all reflections included in the refinement: 0.1052
• 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