Information card for entry 7710983

Structure parameters

• Formula: C6 H4 N6 O9
• Calculated formula: C6 H4 N6 O9
• Title of publication: Renaissance of Dinitroazetidine: Novel Hybrid Energetic Boosters and Oxidizers
• Authors of publication: Zhilin, Egor; Ananyev, Ivan V.; Pivkina, Alla N.; Fershtat, Leonid
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 35.7181 ± 0.0013 Å
• b: 5.468 ± 0.0002 Å
• c: 11.2106 ± 0.0004 Å
• α: 90°
• β: 92.986 ± 0.002°
• γ: 90°
• Cell volume: 2186.53 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0509
• Residual factor for significantly intense reflections: 0.0389
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No