Information card for entry 7125724

Structure parameters

• Formula: C4 H4 N8 O5
• Calculated formula: C4 H4 N8 O5
• Title of publication: 5,6-Fused bicyclic tetrazolo-pyridazine energetic materials.
• Authors of publication: Chen, Sitong; Liu, Yuji; Feng, Yongan; Yang, Xianjin; Zhang, Qinghua
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 10
• Pages of publication: 1493 - 1496
• a: 23.411 ± 0.003 Å
• b: 5.0229 ± 0.0005 Å
• c: 15.2453 ± 0.0019 Å
• α: 90°
• β: 101.545 ± 0.004°
• γ: 90°
• Cell volume: 1756.4 ± 0.4 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: 0.104
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1167
• Weighted residual factors for all reflections included in the refinement: 0.1446
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No