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Information card for entry 4021089
Preview
| Coordinates | 4021089.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C12 H12 Br I O2 |
|---|---|
| Calculated formula | C12 H12 Br I O2 |
| SMILES | I[C@H]1C[C@H]1[C@@H](C)OC(=O)c1ccc(Br)cc1.I[C@@H]1C[C@@H]1[C@H](C)OC(=O)c1ccc(Br)cc1 |
| Title of publication | Synthesis and Application of Chiral Cyclopropane-Based Ligands in Palladium-Catalyzed Allylic Alkylation |
| Authors of publication | Gary A. Molander; Jason P. Burke; Patrick J. Carroll |
| Journal of publication | Journal of Organic Chemistry |
| Year of publication | 2004 |
| Journal volume | 69 |
| Pages of publication | 8062 - 8069 |
| a | 7.8323 ± 0.0011 Å |
| b | 9.0392 ± 0.0011 Å |
| c | 10.8216 ± 0.0016 Å |
| α | 105.979 ± 0.002° |
| β | 108.666 ± 0.002° |
| γ | 100.361 ± 0.002° |
| Cell volume | 666.92 ± 0.16 Å3 |
| Cell temperature | 143 ± 1 K |
| Ambient diffraction temperature | 143 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
4021089.cif |
| 120074 | 2014-07-11 | Adding DOIs to range 4/02 structures. | 4021089.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4021089.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. |
4021089.cif |
| 725 | 2009-05-14 | cif/: Fixing the misspelled _atom_site_symetry_multiplicity tag: saulius@delfinas checks/ > pwd /home/saulius/struct/cod/cif/checks saulius@delfinas checks/ > find ../[2-9]/ -name \*.cif \ | xargs grep -l _atom_site_symetry_multiplicity \ | xargs -n1 -t \ perl -i -pe 's/_atom_site_symetry_multiplicity/_atom_site_symmetry_multiplicity/' |
4021089.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/' |
4021089.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4021089.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. |
4021089.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) |
4021089.cif |
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Users of the data should acknowledge the original authors of the
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