Information card for entry 1571419

Structure parameters

• Formula: C3 H3 F3 Li N O3 S
• Calculated formula: C3 H3 F3 Li N O3 S
• Title of publication: Evolving better solvate electrolytes for lithium secondary batteries.
• Authors of publication: Philippi, Frederik; Middendorf, Maleen; Shigenobu, Keisuke; Matsuyama, Yuna; Palumbo, Oriele; Pugh, David; Sudoh, Taku; Dokko, Kaoru; Watanabe, Masayoshi; Schönhoff, Monika; Shinoda, Wataru; Ueno, Kazuhide
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 19
• Pages of publication: 7342 - 7358
• a: 63.7924 ± 0.001 Å
• b: 9.6005 ± 0.0001 Å
• c: 17.2224 ± 0.0002 Å
• α: 90°
• β: 90.202 ± 0.001°
• γ: 90°
• Cell volume: 10547.6 ± 0.2 ų
• Cell temperature: 223.15 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 7
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No