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Information card for entry 8105800
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| Coordinates | 8105800.cif |
|---|---|
| Original paper (by DOI) | HTML |
| 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 Å3 |
| 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 |
| Revision | Date | Message | Files |
|---|---|---|---|
| 278001 (current) | 2022-09-20 | cif/ Adding structures of 8105800 via cif-deposit CGI script. |
8105800.cif |
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Users of the data should acknowledge the original authors of the
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