Information card for entry 7236115

Structure parameters

• Formula: C4 H8 N8 O6
• Calculated formula: C4 H8 N8 O6
• Title of publication: Energetic compounds consisting of 1,2,5- and 1,3,4-oxadiazole rings
• Authors of publication: Tang, Yongxing; He, Chunlin; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean'ne M.
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2015
• Journal volume: 3
• Journal issue: 46
• Pages of publication: 23143
• a: 26.968 ± 0.002 Å
• b: 4.0185 ± 0.0003 Å
• c: 18.7676 ± 0.0014 Å
• α: 90°
• β: 99.579 ± 0.005°
• γ: 90°
• Cell volume: 2005.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0969
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1598
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No