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Information card for entry 4062479
Preview
| Coordinates | 4062479.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C22 H15 F3 |
|---|---|
| Calculated formula | C22 H15 F3 |
| SMILES | C(#CC(F)(F)F)C(c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Preparation and Functionalization of a Range of Main-Group Trifluoropropynyl Organometallic Compounds: The Application of Metalloid-Directed Carbolithiation to the Selective Synthesis of Novel Fluorocarbon Fragments. |
| Authors of publication | Brisdon, Alan K.; Crossley, Ian R.; Pritchard, Robin G.; Sadiq, Ghazala; Warren, John E. |
| Journal of publication | Organometallics |
| Year of publication | 2003 |
| Journal volume | 22 |
| Journal issue | 26 |
| Pages of publication | 5534 - 5542 |
| a | 19.1078 ± 0.0007 Å |
| b | 10.6047 ± 0.0004 Å |
| c | 18.0521 ± 0.0008 Å |
| α | 90° |
| β | 106.251 ± 0.002° |
| γ | 90° |
| Cell volume | 3511.8 ± 0.2 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4062479.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4062479.cif |
| 133687 | 2015-03-09 | cif/4/06/ (antanas@echidna.ibt.lt) Updating bibliography for CIF 4062477, 4062478, 4062479, 4062480, 4062481. |
4062479.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062479.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. |
4062479.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. |
4062479.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/' |
4062479.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062479.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. |
4062479.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) |
4062479.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.