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Information card for entry 7112473
Preview
| Coordinates | 7112473.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H19 F |
|---|---|
| Calculated formula | C22 H19 F |
| SMILES | Fc1ccc(C(=C\c2ccc(cc2)C)\c2ccc(cc2)C)cc1 |
| Title of publication | Ambient arylmagnesiation of alkynes catalysed by ligandless nickel(ii). |
| Authors of publication | Xue, Fei; Zhao, Jin; Hor, T. S. Andy |
| Journal of publication | Chemical communications (Cambridge, England) |
| Year of publication | 2013 |
| Journal volume | 49 |
| Journal issue | 86 |
| Pages of publication | 10121 - 10123 |
| a | 9.3013 ± 0.0008 Å |
| b | 10.3979 ± 0.0009 Å |
| c | 17.359 ± 0.0015 Å |
| α | 78.282 ± 0.001° |
| β | 89.092 ± 0.002° |
| γ | 88.732 ± 0.002° |
| Cell volume | 1643.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0674 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1389 |
| Weighted residual factors for all reflections included in the refinement | 0.1465 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.085 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180238 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/24. |
7112473.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7112473.cif |
| 110111 | 2014-04-18 | cif/ Adding structures of 7112472, 7112473 via cif-deposit CGI script. |
7112473.cif |
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