Information card for entry 7223858

Structure parameters

• Formula: C6 H4 F8 N2 O6
• Calculated formula: C6 H4 F8 N2 O6
• SMILES: FC(F)(CON(=O)=O)C(F)(F)C(C(F)(F)CON(=O)=O)(F)F
• Title of publication: Synthesis of Nitrate Ester and Nitramine Derivatives of Polyfluoro Alkyl Compounds for High Energy Materials
• Authors of publication: Dharavath, Srinivas; Ghule, Vikas
• Journal of publication: RSC Adv.
• Year of publication: 2016
• a: 5.1438 ± 0.0005 Å
• b: 6.2912 ± 0.0009 Å
• c: 9.9448 ± 0.0012 Å
• α: 91.605 ± 0.01°
• β: 104.35 ± 0.009°
• γ: 101.944 ± 0.01°
• Cell volume: 303.96 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0809
• Residual factor for significantly intense reflections: 0.0755
• Weighted residual factors for significantly intense reflections: 0.2329
• Weighted residual factors for all reflections included in the refinement: 0.2417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.9
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No