Information card for entry 7047348

Structure parameters

• Formula: C4 H8 N10 O6
• Calculated formula: C4 H8 N10 O6
• Title of publication: Amino-nitramino functionalized triazolotriazines: a good balance between high energy and low sensitivity.
• Authors of publication: Ma, Jinchao; Cheng, Guangbin; Ju, Xuehai; Yi, Zhenxin; Zhu, Shunguan; Zhang, Zaichao; Yang, Hongwei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14483 - 14490
• a: 8.9661 ± 0.0007 Å
• b: 6.7936 ± 0.0006 Å
• c: 18.1976 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1108.45 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1092
• Residual factor for significantly intense reflections: 0.0707
• Weighted residual factors for significantly intense reflections: 0.1648
• Weighted residual factors for all reflections included in the refinement: 0.1894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.096
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No