Information card for entry 7054474

Structure parameters

• Common name: 3,4-Dicarboxamidoximyl-furoxane
• Chemical name: 3,4-Dicarboxamidoximyl-furoxane
• Formula: C4 H6 N6 O4
• Calculated formula: C4 H6 N6 O4
• SMILES: O1N(=O)=C(C(=N1)C(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: 6.9708 ± 0.0014 Å
• b: 14.408 ± 0.002 Å
• c: 7.8104 ± 0.0013 Å
• α: 90°
• β: 105.99 ± 0.02°
• γ: 90°
• Cell volume: 754.1 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1211
• Weighted residual factors for all reflections included in the refinement: 0.1288
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No