Information card for entry 7054479

Structure parameters

• Common name: 3,4-(Dicarboxamidoxyl)furazane
• Chemical name: 3,4-(Dicarboxamidoxyl)furazane
• Formula: C4 H6 N6 O3
• Calculated formula: C4 H6 N6 O3
• SMILES: n1onc(c1C(N)=NO)C(N)=NO
• Title of publication: Energetic alliance of tetrazole-1-oxides and 1,2,5-oxadiazoles
• Authors of publication: Fischer, Dennis; Klapötke, Thomas M.; Reymann, Marius; Stierstorfer, Jörg; Völkl, Maurus B. R.
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 3
• Pages of publication: 1619
• a: 12.844 ± 0.003 Å
• b: 8.919 ± 0.005 Å
• c: 6.988 ± 0.004 Å
• α: 90°
• β: 112.147 ± 0.005°
• γ: 90°
• Cell volume: 741.5 ± 0.6 ų
• Cell temperature: 100 ± 2 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: 0.0517
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0955
• Weighted residual factors for all reflections included in the refinement: 0.1058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No