Information card for entry 7251986

Structure parameters

• Formula: C7 H18 F3 N13 O8
• Calculated formula: C7 H18 F3 N13 O8
• Title of publication: Strategic modular assembly of trifluoromethylated energetic materials via triazine-based scaffolds
• Authors of publication: Yu, Jiyuan; Miao, Xiangyan; Li, Yuchuan
• Journal of publication: RSC Advances
• Year of publication: 2026
• Journal volume: 16
• Journal issue: 27
• Pages of publication: 25208 - 25215
• a: 8.1025 ± 0.001 Å
• b: 8.1837 ± 0.0011 Å
• c: 14.7785 ± 0.0016 Å
• α: 93.339 ± 0.005°
• β: 97.166 ± 0.005°
• γ: 99.686 ± 0.006°
• Cell volume: 955.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.1044
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1651
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No