Information card for entry 7710984

Structure parameters

• Formula: C5 H6 N6 O10
• Calculated formula: C5 H6 N6 O10
• 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: 8.5418 ± 0.0005 Å
• b: 7.1633 ± 0.0004 Å
• c: 9.5501 ± 0.0005 Å
• α: 90°
• β: 101.779 ± 0.0016°
• γ: 90°
• Cell volume: 572.04 ± 0.06 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 4
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0741
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No