Information card for entry 4518809

Structure parameters

• Formula: C4 H5 N7 O5
• Calculated formula: C4 H5 N7 O5
• Title of publication: Self-Assembly of Nitrogen-Rich Heterocyclic Compounds with Oxidants for the Development of High-Energy Materials.
• Authors of publication: Zheng, Yue; Qi, Xiujuan; Chen, Sitong; Song, Siwei; Zhang, Yaping; Wang, Kangcai; Zhang, Qinghua
• Journal of publication: ACS applied materials & interfaces
• Year of publication: 2021
• Journal volume: 13
• Journal issue: 24
• Pages of publication: 28390 - 28397
• a: 9.6613 ± 0.0001 Å
• b: 11.1387 ± 0.0002 Å
• c: 15.57 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1675.55 ± 0.04 ų
• Cell temperature: 295.51 ± 0.14 K
• Ambient diffraction temperature: 295.51 ± 0.14 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No