Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8100426
Preview
| Coordinates | 8100426.cif |
|---|
| Formula | C93 H105 O10 P2 |
|---|---|
| Calculated formula | C92.91 H104.73 O10 P2 |
| Title of publication | Crystal structure of 5,11,17,23-tetra-tert-butyl-25,26- bis (diphenylphosphinoylmethoxy)-27,28-bis(benzoyl-methoxy)calix[4]-arene—ethyl acetate—hexane (1:1:0.5), C~86~H~90~O~8~P~2~ · C~4~H~8~O~2~ · 0.5C~6~H~14~, a new cavity-shaped ligand with eight oxygen donors |
| Authors of publication | Steyer, Stéphane; Matt, Dominique; Welter, Richard; Louati, Alain |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2003 |
| Journal volume | 218 |
| Journal issue | 4 |
| Pages of publication | 423 - 426 |
| a | 10.4556 ± 0.0002 Å |
| b | 15.1838 ± 0.0002 Å |
| c | 26.8979 ± 0.0005 Å |
| α | 103.143 ± 0.0009° |
| β | 91.403 ± 0.0007° |
| γ | 95.4738 ± 0.0007° |
| Cell volume | 4134.68 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 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 |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8100426.cif |
| 106802 | 2014-03-17 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100426.cif |
| 100883 | 2014-02-08 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume numbers, changing journal name to a more informative one. |
8100426.cif |
| 77584 | 2013-03-28 | cod/ (inesa@sabalas) Correcting uppercase author names in the rest of the COD CIFs. |
8100426.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100426.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. |
8100426.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/' |
8100426.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100426.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. |
8100426.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) |
8100426.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.