Information card for entry 2012939

Structure parameters

• Common name: TEX
• Chemical name: 4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane
• Formula: C6 H6 N4 O8
• Calculated formula: C6 H6 N4 O8
• SMILES: N1(N(=O)=O)[C@@H]2[C@@H]3N(N(=O)=O)[C@@H]4[C@H]1OC(O4)C(O2)O3
• Title of publication: 4,10-Dinitro-2,6,8,12-tetraoxa-4,10-diazaisowurtzitane (TEX): a nitramine with an exceptionally high density
• Authors of publication: Karaghiosoff, Konstantin; Klapötke, Thomas M.; Michailovski, Alexej; Holl, Gerhard
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 9
• Pages of publication: o580 - o581
• a: 6.836 ± 0.0012 Å
• b: 7.6404 ± 0.0014 Å
• c: 8.7765 ± 0.0016 Å
• α: 82.37 ± 0.02°
• β: 75.05 ± 0.02°
• γ: 79.46 ± 0.02°
• Cell volume: 433.63 ± 0.14 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes