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Information card for entry 7111764
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| Coordinates | 7111764.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cylo-bis((L)-prolyl-alpha-6-amino-2-picolinyl) |
|---|---|
| Chemical name | cylo-bis[(L)-prolyl-alpha-6-amino-2-picolinyl] |
| Formula | C22 H22 N6 O4 |
| Calculated formula | C22 H22 N6 O4 |
| Title of publication | Formation of a cyclic tetrapeptide mimic by thermal azide‒alkyne 1,3-dipolar cycloaddition |
| Authors of publication | Krause, Martin R.; Goddard, Richard; Kubik, Stefan |
| Journal of publication | Chemical Communications |
| Year of publication | 2010 |
| Journal volume | 46 |
| Journal issue | 29 |
| Pages of publication | 5307 - 5309 |
| a | 9.138 ± 0.004 Å |
| b | 11.325 ± 0.005 Å |
| c | 19.715 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2040.3 ± 1.5 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0535 |
| Residual factor for significantly intense reflections | 0.0496 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.1342 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 1 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180231 (current) | 2016-03-26 | cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/17. |
7111764.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 {}' |
7111764.cif |
| 96771 | 2014-01-29 | cif/ Adding structures of 7111763, 7111764 via cif-deposit CGI script. |
7111764.cif |
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Users of the data should acknowledge the original authors of the
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