Information card for entry 1507493

Structure parameters

• Formula: C11 H22 F3 Na O8 S
• Calculated formula: C11 H22 F3 Na O8 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Na]1234[O](C)CC[O]1CC[O]2CC[O]4CC[O]3C
• Title of publication: Crystalline Phases of Poly(Ethylene Oxide) Oligomers and Sodium Triflate: Changes in Coordination and Conformation with Chain Length
• Authors of publication: Rhodes, Christopher P.; Khan, Masood; Frech, Roger
• Journal of publication: The Journal of Physical Chemistry B
• Year of publication: 2002
• Journal volume: 106
• Journal issue: 40
• Pages of publication: 10330
• a: 15.3093 ± 0.0012 Å
• b: 9.6185 ± 0.0007 Å
• c: 12.6945 ± 0.0013 Å
• α: 90°
• β: 107.549 ± 0.007°
• γ: 90°
• Cell volume: 1782.3 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0469
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections: 0.1029
• Weighted residual factors for significantly intense reflections: 0.0958
• Goodness-of-fit parameter for all reflections: 1.057
• Goodness-of-fit parameter for significantly intense reflections: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No