Information card for entry 1506406

Structure parameters

• Formula: C7 H15 F3 Li N O3 S
• Calculated formula: C7 H15 F3 Li N O3 S
• Title of publication: Hydrogen bonding and the inductive effect in crystalline and solution phases of hexylamine:LiCF3SO3 and Dipropylamine:LiCF3SO3: application to branched poly(ethylenimine).
• Authors of publication: Rocher, Nathalie M.; Frech, Roger; Khan, Masood
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2005
• Journal volume: 109
• Journal issue: 44
• Pages of publication: 20697 - 20706
• a: 5.1842 ± 0.0004 Å
• b: 15.379 ± 0.0013 Å
• c: 15.8877 ± 0.0013 Å
• α: 90°
• β: 98.11 ± 0.001°
• γ: 90°
• Cell volume: 1254.02 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1008
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2526
• Weighted residual factors for all reflections included in the refinement: 0.2676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No