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Information card for entry 7046957
Preview
| Coordinates | 7046957.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H29 O3 P S |
|---|---|
| Calculated formula | C19 H29 O3 P S |
| Title of publication | ortho-Phenyl dialkylphosphonium sulfonate compounds: two rotamers in equilibrium. |
| Authors of publication | Martin-Mothes, E; Puig, E.; Vendier, L.; Bijani, C.; Grellier, M.; Bontemps, S. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 30 |
| Pages of publication | 10139 - 10146 |
| a | 10.7191 ± 0.0005 Å |
| b | 13.3649 ± 0.0006 Å |
| c | 14.3514 ± 0.0007 Å |
| α | 90.835 ± 0.002° |
| β | 100.446 ± 0.002° |
| γ | 110.079 ± 0.002° |
| Cell volume | 1892.43 ± 0.16 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0305 |
| Residual factor for significantly intense reflections | 0.0277 |
| Weighted residual factors for significantly intense reflections | 0.0742 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 229809 (current) | 2019-11-17 | cif/ Updating files of 7046957, 7046958, 7046959 Original log message: Adding full bibliography for 7046957--7046959.cif. |
7046957.cif |
| 208893 | 2018-07-07 | cif/ Adding structures of 7046957, 7046958, 7046959 via cif-deposit CGI script. |
7046957.cif |
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Users of the data should acknowledge the original authors of the
structural data.