Information card for entry 7237672

Structure parameters

• Formula: C4 H7 N6 O5
• Calculated formula: C4 H7 N6 O5
• Title of publication: Hunting for advanced high-energy-density materials with well-balanced energy and safety through an energetic host‒guest inclusion strategy
• Authors of publication: Wang, Yi; Song, Siwei; Huang, Chuan; Qi, Xiujuan; Wang, Kangcai; Liu, Yuji; Zhang, Qinghua
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 33
• Pages of publication: 19248
• a: 14.128 ± 0.007 Å
• b: 14.696 ± 0.008 Å
• c: 7.415 ± 0.004 Å
• α: 90°
• β: 98.866 ± 0.014°
• γ: 90°
• Cell volume: 1521.1 ± 1.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No