Information card for entry 7237669

Structure parameters

• Formula: C4 H8 N8 O8
• Calculated formula: C4 H8 N8 O8
• Title of publication: High density assembly of energetic molecules under the constraint of defected 2D materials
• Authors of publication: Yan, Qi-Long; Yang, Zhijian; Zhang, Xue-Xue; Lyu, Jie-Yao; He, Wei; Huang, Shi; Liu, Pei-Jin; Zhang, Chaoyang; Zhang, Qing-Hua; He, Guo-Qiang; Nie, Fu-De
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 17806
• a: 6.527 ± 0.005 Å
• b: 10.926 ± 0.007 Å
• c: 7.335 ± 0.005 Å
• α: 90°
• β: 102.5 ± 0.02°
• γ: 90°
• Cell volume: 510.7 ± 0.6 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No