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Information card for entry 1518599
Preview
| Coordinates | 1518599.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C59.25 H28.5 B Cl2.5 F23 P2 |
|---|---|
| Calculated formula | C58 H26 B F23 P2 |
| SMILES | c1ccc2c(c(ccc2)[P+](c2ccccc2)(c2ccccc2)F)c1P(c1ccccc1)(c1ccccc1)(F)F.c1(c(c(c(c(c1F)F)F)F)F)[B-](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F |
| Title of publication | Electrophilic bis-fluorophosphonium dications: Lewis acid catalysts from diphosphines |
| Authors of publication | Holthausen, Michael H.; Hiranandani, Rashi R.; Stephan, Douglas W. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 3 |
| Pages of publication | 2016 |
| a | 18.8002 ± 0.0009 Å |
| b | 17.1372 ± 0.001 Å |
| c | 17.8001 ± 0.0009 Å |
| α | 90° |
| β | 102.564 ± 0.002° |
| γ | 90° |
| Cell volume | 5597.6 ± 0.5 Å3 |
| Cell temperature | 149 ± 2 K |
| Ambient diffraction temperature | 149 ± 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 | 0.0762 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1071 |
| Weighted residual factors for all reflections included in the refinement | 0.117 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518599.cif |
| 133108 | 2015-03-06 | cif/ Updating files of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 Original log message: Adding full bibliography for 1518596--1518603.cif. |
1518599.cif |
| 130150 | 2015-01-28 | cif/ Adding structures of 1518596, 1518597, 1518598, 1518599, 1518600, 1518601, 1518602, 1518603 via cif-deposit CGI script. |
1518599.cif |
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Users of the data should acknowledge the original authors of the
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