Information card for entry 7123340

Structure parameters

• Formula: C7 H9 N11 O3
• Calculated formula: C7 H9 N11 O3
• Title of publication: Amino-tetrazole functionalized fused triazolo-triazine and tetrazolo-triazine energetic materials
• Authors of publication: wang, qian; Shao, Yanli; Lu, Ming
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 27.752 ± 0.005 Å
• b: 6.2922 ± 0.0014 Å
• c: 6.9744 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1217.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1279
• Residual factor for significantly intense reflections: 0.0721
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1852
• 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