Information card for entry 8105800

Structure parameters

• Chemical name: 2,4-dimethoxybenzyl-triphenylphosphonium trifluoroacetate trifluoroacetic acid
• Formula: C31 H27 F6 O6 P
• Calculated formula: C31 H27 F6 O6 P
• Title of publication: Crystal structure of (2,4-dimethoxybenzyl)triphenylphosphonium trifluoroacetate — trifluoroacetic acid (1/1), C31H27F6O6P
• Authors of publication: Smit, Jireh B.M.; Marais, Charlene; Malan, Frederick P.; Bezuidenhout, Barend C.B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 4
• Pages of publication: 621 - 623
• a: 8.0017 ± 0.0002 Å
• b: 11.1702 ± 0.0003 Å
• c: 17.8353 ± 0.0004 Å
• α: 104.9 ± 0.001°
• β: 96.536 ± 0.001°
• γ: 97.738 ± 0.001°
• Cell volume: 1508.05 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No