Information card for entry 7064231

Structure parameters

• Formula: C15 H15 F6 N21 O4
• Calculated formula: C15 H15 F6 N21 O4
• Title of publication: Energetic triazolotriazines with trifluoromethyl, dinitromethyl and nitroamino groups: synthesis, structure and properties
• Authors of publication: Xie, Hugen; Shi, Haichuan; Liu, Chang; Zhong, Mei; Li, Haoran; Du, Niying; Lai, Junfu; Zou, Qianzai; Huang, Ming; Yang, Haijun
• Journal of publication: New Journal of Chemistry
• Year of publication: 2026
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2817 - 2824
• a: 8.1445 ± 0.0006 Å
• b: 10.771 ± 0.0007 Å
• c: 15.6123 ± 0.0012 Å
• α: 86.096 ± 0.002°
• β: 79.109 ± 0.003°
• γ: 86.365 ± 0.002°
• Cell volume: 1340 ± 0.17 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1608
• Residual factor for significantly intense reflections: 0.0788
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No