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Information card for entry 4021186
Preview
| Coordinates | 4021186.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C47 H43 F6 N3 P2 Pd |
|---|---|
| Calculated formula | C47 H43 F6 N3 P2 Pd |
| SMILES | c12c3c(cccc3)nc(C(C)C)[n]2[Pd]2(c3ccc4ccccc4c3[C@@H](C)[N]2(C)C)[P](c2c1c1c(cc2)cccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Preparation and Resolution of a Modular Class of Axially Chiral Quinazoline-Containing Ligands and Their Application in Asymmetric Rhodium-Catalyzed Olefin Hydroboration |
| Authors of publication | David J. Connolly; Patrick M. Lacey; Mary McCarthy; Cormac P. Saunders; Anne-Marie Carroll; Richard Goddard; Patrick J. Guiry |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2004 |
| Journal volume | 69 |
| Pages of publication | 6572 - 6589 |
| a | 11.2498 ± 0.0012 Å |
| b | 16.1672 ± 0.0017 Å |
| c | 11.379 ± 0.0012 Å |
| α | 90° |
| β | 92.273 ± 0.002° |
| γ | 90° |
| Cell volume | 2068 ± 0.4 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178389 (current) | 2016-03-21 | cif/4/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/02/11. |
4021186.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4021186.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4021186.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4021186.cif |
| 922 | 2009-12-09 | cif/ Fixing manually missing braces in series 4, 7 and 8 CIFs. |
4021186.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4021186.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4021186.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4021186.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4021186.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4021186.cif |
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