Information card for entry 7044307

Structure parameters

• Formula: C3 H K N4 O5
• Calculated formula: C3 H K N4 O5
• Title of publication: Exploiting the Energetic Potential of 1,2,4-Oxadiazole Derivatives: Combining the Benefits of 1,2,4-Oxadiazole Framework with Various Energetic Functionalities
• Authors of publication: Yan, Chao; Wang, Kangcai; Liu, Tianlin; Yang, Hongwei; cheng, guangbing; Zhang, Qinghua
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 6.8618 ± 0.001 Å
• b: 7.1833 ± 0.001 Å
• c: 7.7371 ± 0.0011 Å
• α: 84.776 ± 0.003°
• β: 82.401 ± 0.003°
• γ: 64.52 ± 0.002°
• Cell volume: 341 ± 0.08 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0343
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.154
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No