Information card for entry 7058681

Structure parameters

• Formula: C3 H4 N10 O2
• Calculated formula: C3 H4 N10 O2
• Title of publication: 5-(4-Azidofurazan-3-yl)-1-hydroxytetrazole and its derivatives: from green primary to secondary explosives
• Authors of publication: Zhang, Jichuan; Yin, Ping; Pan, Guangxing; Wang, Zhenyuan; Zhang, Jiaheng; Mitchell, Lauren A.; Parrish, Damon A.; Shreeve, Jean’ne M.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 32
• Pages of publication: 12684
• a: 4.7561 ± 0.0005 Å
• b: 12.104 ± 0.0012 Å
• c: 14.0172 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 806.94 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0588
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No