Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4062481
Preview
| Coordinates | 4062481.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C27 H21 F3 Si |
|---|---|
| Calculated formula | C27 H21 F3 Si |
| SMILES | C(=C(C(F)(F)F)/c1ccccc1)/[Si](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 | 9.2663 ± 0.0002 Å |
| b | 11.1733 ± 0.0002 Å |
| c | 12.735 ± 0.0003 Å |
| α | 105.304 ± 0.001° |
| β | 98.691 ± 0.001° |
| γ | 114.007 ± 0.001° |
| Cell volume | 1110.63 ± 0.04 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 4 |
| 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 |
|---|---|---|---|
| 277847 (current) | 2022-09-15 | cif/ Added space group information derived from the space group operation list using the 'cif_filter' program. |
4062481.cif |
| 201982 | 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. |
4062481.cif |
| 133687 | 2015-03-09 | cif/4/06/ (antanas@echidna.ibt.lt) Updating bibliography for CIF 4062477, 4062478, 4062479, 4062480, 4062481. |
4062481.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4062481.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. |
4062481.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/' |
4062481.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4062481.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. |
4062481.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) |
4062481.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.