Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8100540
Preview
| Coordinates | 8100540.cif |
|---|
| Formula | C48 H58 N6 O12 P2 S2 |
|---|---|
| Calculated formula | C48 H50 N6 O12 P2 S2 |
| Title of publication | Crystal structure of 25,27-bis(1,3,5-trimethyl-1,3,5-triaza-2lamda ^5^sigma^4^-phosphorin-4,6-dionyl)calix[4]arene-crown-6-disulfide, C~48~H~58~N~6~O~12~P~2~S~2~ |
| Authors of publication | Dieleman, Cedric B.; Matt, Dominique; Neda, Ion; Schmutzler, Reinhard |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2002 |
| Journal volume | 217 |
| Journal issue | 1 |
| Pages of publication | 55 - 56 |
| a | 19.46 ± 0.001 Å |
| b | 15.635 ± 0.001 Å |
| c | 16.245 ± 0.0009 Å |
| α | 90° |
| β | 94.115 ± 0.003° |
| γ | 90° |
| Cell volume | 4929.9 ± 0.9 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 6 |
| 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 |
|---|---|---|---|
| 176728 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8100540.cif |
| 103365 | 2014-03-03 | cif/8/10/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8100540.cif |
| 100680 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Added paper volumes. |
8100540.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8100540.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. |
8100540.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. |
8100540.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/' |
8100540.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8100540.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. |
8100540.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) |
8100540.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.