Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7111207
Preview
| Coordinates | 7111207.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H17 N5 O6 |
|---|---|
| Calculated formula | C11 H15 N5 O6 |
| Title of publication | New stereoselective reaction of methylglyoxal with 2-aminopyridine and adenine derivatives: Formation of imino acid-nucleic base derivatives in water under mild conditions |
| Authors of publication | Routaboul, Christel; Dumas, Lionel; Gautier-Luneau, Isabelle; Vergne, Jacques; Maurel, Marie-Christine; Décout, Jean-Luc |
| Journal of publication | Chemical Communications |
| Year of publication | 2002 |
| Journal issue | 10 |
| Pages of publication | 1114 |
| a | 7.426 ± 0.001 Å |
| b | 14.258 ± 0.001 Å |
| c | 13.747 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1455.5 ± 0.2 Å3 |
| Cell temperature | 566.2 K |
| Ambient diffraction temperature | 566.2 K |
| Number of distinct elements | 4 |
| Space group number | 29 |
| Hermann-Mauguin space group symbol | P c a 21 |
| Hall space group symbol | P 2c -2ac |
| Residual factor for all reflections | 0.039 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for all reflections | 0.0362 |
| Weighted residual factors for all reflections included in the refinement | 0.0362 |
| Goodness-of-fit parameter for all reflections | 1.557 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.557 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 193981 (current) | 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. |
7111207.cif |
| 192836 | 2017-03-03 | cif/7/ (antanas@echidna.ibt.lt) Changing the values of the '_atom_site_label' and related data items (e. g. '_atom_site_aniso_label') to match each other in order to relate data from different loops in entries 7052517, 7053423, 7053424, 7053425, 7102259, 7111207, 7150914, 7150915, 7150916, 7150917. |
7111207.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7111207.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
7111207.cif |
| 96354 | 2014-01-29 | cif/ Adding structures of 7111207, 7111208, 7111209 via cif-deposit CGI script. |
7111207.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.