Information card for entry 1507491

Structure parameters

• Formula: C5 H10 F3 Na O5 S
• Calculated formula: C5 H10 F3 Na O5 S
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Na]1[O](C)CC[O]1C
• 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: 5.8784 ± 0.0006 Å
• b: 17.3462 ± 0.0015 Å
• c: 10.8042 ± 0.0012 Å
• α: 90°
• β: 92.891 ± 0.008°
• γ: 90°
• Cell volume: 1100.28 ± 0.19 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: 0.0605
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for all reflections: 0.1457
• Weighted residual factors for significantly intense reflections: 0.1331
• Goodness-of-fit parameter for all reflections: 1.053
• Goodness-of-fit parameter for significantly intense reflections: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No