Information card for entry 7123056

Structure parameters

• Formula: C6 H8 N8 O8
• Calculated formula: C6 H8 N8 O8
• Title of publication: Revisiting the Reactive Chemistry of FOX-7: Cyclization of FOX-7 Affords Fused-Ring Polynitro Compounds
• Authors of publication: Yan, Chao; Qi, Xiujuan; Wang, Kangcai; Jin, Yunhe; Cheng, Guangbin; Liu, Tianlin; Yang, Hongwei; Zhang, Qinghua
• Journal of publication: Chemical Communications
• Year of publication: 2019
• a: 6.6754 ± 0.0011 Å
• b: 8.1836 ± 0.0013 Å
• c: 11.2567 ± 0.0017 Å
• α: 94.152 ± 0.004°
• β: 104.263 ± 0.004°
• γ: 104.096 ± 0.004°
• Cell volume: 572.28 ± 0.16 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0832
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1935
• 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: No
• Has Fobs: No