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Information card for entry 8102648
Preview
| Coordinates | 8102648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C28 H26 N4 |
|---|---|
| Calculated formula | C28 H26 N4 |
| Title of publication | Crystal structure of [N,N'-bis(pyridin-2-yl)benzylidene]butane-1,4-diamine, C28H26N4 |
| Authors of publication | Jayaratna, Naleen B.; Norman, Richard E. |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 179 - 180 |
| a | 5.499 ± 0.001 Å |
| b | 25.497 ± 0.006 Å |
| c | 7.818 ± 0.002 Å |
| α | 90° |
| β | 94.865 ± 0.013° |
| γ | 90° |
| Cell volume | 1092.2 ± 0.4 Å3 |
| Cell temperature | 90 ± 0.5 K |
| Ambient diffraction temperature | 90 ± 0.5 K |
| Number of distinct elements | 3 |
| 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 | 0.0843 |
| Residual factor for significantly intense reflections | 0.0795 |
| Weighted residual factors for all reflections | 0.2416 |
| Weighted residual factors for all reflections included in the refinement | 0.215 |
| Goodness-of-fit parameter for all reflections | 0.983 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.018 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102648.cif |
| 132262 | 2015-02-22 | cif/8/10/ (antanas@koala.ibt.lt) Updating bibliography for CIF 8102648. |
8102648.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 {}' |
8102648.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102648.cif |
| 13387 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102648 via cif-deposit CGI script. |
8102648.cif |
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Users of the data should acknowledge the original authors of the
structural data.