Information card for entry 7125725

Structure parameters

• Formula: C4 H2 N8 O4
• Calculated formula: C4 H2 N8 O4
• 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: 11.6487 ± 0.0005 Å
• b: 9.887 ± 0.0005 Å
• c: 14.4221 ± 0.0007 Å
• α: 90°
• β: 106.486 ± 0.002°
• γ: 90°
• Cell volume: 1592.72 ± 0.13 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1329
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No