Information card for entry 2007994

Structure parameters

• Common name: FOX-7
• Chemical name: 1,1‒diamino‒2,2‒dinitroethylene
• Formula: C2 H4 N4 O4
• Calculated formula: C2 H4 N4 O4
• SMILES: C(=C(N)N)(N(=O)=O)N(=O)=O
• Title of publication: 1,1-Diamino-2,2-dinitroethylene: a Novel Energetic Material with Infinite Layers in Two Dimensions
• Authors of publication: Bemm, Ulf; Östmark, Henric
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 1997 - 1999
• a: 6.941 ± 0.001 Å
• b: 6.569 ± 0.001 Å
• c: 11.315 ± 0.002 Å
• α: 90°
• β: 90.55 ± 0.02°
• γ: 90°
• Cell volume: 515.89 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0347
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for all reflections included in the refinement: 0.0808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.655
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes