Information card for entry 7054477

Structure parameters

• Common name: 3,4-Dichloroximidoyl-furoxane
• Chemical name: 3,4-Dichloroximidoyl-furoxane
• Formula: C4 H2 Cl2 N4 O4
• Calculated formula: C4 H2 Cl2 N4 O4
• SMILES: Cl/C(=N\O)C1=N(ON=C1C(=N\O)\Cl)=O
• 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: 6.985 ± 0.0005 Å
• b: 8.4845 ± 0.0005 Å
• c: 13.8574 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 821.25 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• 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: 0.0294
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0599
• Weighted residual factors for all reflections included in the refinement: 0.0616
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No