Information card for entry 1513080

Structure parameters

• Formula: C14 H26 F6 N Na O10 S2
• Calculated formula: C14 H26 F6 N Na O10 S2
• SMILES: S(O[Na]12345[O](C)CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5C)(=O)(=NS(=O)(=O)C(F)(F)F)C(F)(F)F
• Title of publication: Phase diagrams and solvate structures of binary mixtures of glymes and na salts.
• Authors of publication: Mandai, Toshihiko; Nozawa, Risa; Tsuzuki, Seiji; Yoshida, Kazuki; Ueno, Kazuhide; Dokko, Kaoru; Watanabe, Masayoshi
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2013
• Journal volume: 117
• Journal issue: 48
• Pages of publication: 15072 - 15085
• a: 13.5214 ± 0.0005 Å
• b: 16.1932 ± 0.0008 Å
• c: 22.1855 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4857.6 ± 0.4 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 1.164
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No