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Information card for entry 7111209
Preview
| Coordinates | 7111209.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C11 H14 N2 O4 |
|---|---|
| Calculated formula | C11 H14 N2 O4 |
| 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 | 7.809 ± 0.002 Å |
| b | 13.974 ± 0.002 Å |
| c | 9.991 ± 0.004 Å |
| α | 90° |
| β | 91.2 ± 0.03° |
| γ | 90° |
| Cell volume | 1090 ± 0.5 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 273.2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0376 |
| Weighted residual factors for all reflections | 0.052 |
| Weighted residual factors for all reflections included in the refinement | 0.052 |
| Goodness-of-fit parameter for all reflections | 1.996 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.996 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176453 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7111209.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 {}' |
7111209.cif |
| 96354 | 2014-01-29 | cif/ Adding structures of 7111207, 7111208, 7111209 via cif-deposit CGI script. |
7111209.cif |
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Users of the data should acknowledge the original authors of the
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