Information card for entry 7223859

Structure parameters

• Formula: C8 H6 F8 N4 O8
• Calculated formula: C8 H6 F8 N4 O8
• SMILES: C(F)(F)(C(F)(F)C(C(F)(F)COC(=O)NN(=O)=O)(F)F)COC(=O)NN(=O)=O
• 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: 4.99141 ± 0.00016 Å
• b: 20.7151 ± 0.0008 Å
• c: 7.2618 ± 0.0002 Å
• α: 90°
• β: 102.263 ± 0.003°
• γ: 90°
• Cell volume: 733.72 ± 0.04 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.1797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.537
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No