Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 8101472
Preview
| Coordinates | 8101472.cif |
|---|
| Formula | C17 H24 O7 |
|---|---|
| Calculated formula | C17 H24 O7 |
| Title of publication | Crystal structure of trimethyl 3-methyl-4-oxo-(E)-8-cyclodecene-1, 1,6-tricarboxylate, C17H24O7 |
| Authors of publication | Ullmann, Astrid; Zahn, Gernot; Schnaubelt, Jürgen; Reissig, Hans-Ulrich |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 1999 |
| Journal volume | 214 |
| Journal issue | 2 |
| Pages of publication | 221 - 223 |
| a | 7.8574 ± 0.0006 Å |
| b | 14.791 ± 0.0011 Å |
| c | 16.8742 ± 0.0015 Å |
| α | 107.16 ± 0.005° |
| β | 99.995 ± 0.005° |
| γ | 97.512 ± 0.005° |
| Cell volume | 1810.5 ± 0.3 Å3 |
| Cell temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for significantly intense reflections | 0.0494 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193983 (current) | 2017-03-05 | cif/8/10/14/ (antanas@kurmis) Replacing the '_geom_contact_publ_flag' data name with the '_geom_hbond_publ_flag' since all other data items in the loop belong to the '_geom_hbond' category in entry 8101472. |
8101472.cif |
| 193981 | 2017-03-05 | cod/ (antanas@kurmis) Correcting misspelt data item names by using the 'cod_correct_tags' script and the replacement file 'data/replacement-values/replacement_tags.lst' from the cod-tools repository (rev. 5006). The correction was mainly focused on removing misspelt versions of the '_geom_*' data items. |
8101472.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
8101472.cif |
| 102501 | 2014-02-21 | cif/8/ (antanas@lokys.ibt.lt) Adding bibliographic information: issue, first page, last page. |
8101472.cif |
| 100411 | 2014-02-06 | cif/8/10/ (antanas@lokys.ibt.lt) Adding volume number. |
8101472.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8101472.cif |
| 1098 | 2010-04-15 | Fixed tag '_geom_contact_atom_site_label_A' to '_geom_bond_atom_site_label_A' |
8101472.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. |
8101472.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/' |
8101472.cif |
| 18 | 2008-01-26 | Removing the incorrect tag-like '_eof' mark from the ends of some COD CIF files. |
8101472.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
8101472.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. |
8101472.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) |
8101472.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.