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Information card for entry 1506388
Preview
| Coordinates | 1506388.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C24 H22 |
|---|---|
| Calculated formula | C24 H22 |
| Title of publication | Relaxation dynamics and structural characterization of organic nanoparticles with enhanced emission. |
| Authors of publication | Bhongale, Chetan Jagdish; Chang, Chih-Wei; Lee, Chi-Shen; Diau, Eric Wei-Guang; Hsu, Chain-Shu |
| Journal of publication | The journal of physical chemistry. B |
| Year of publication | 2005 |
| Journal volume | 109 |
| Journal issue | 28 |
| Pages of publication | 13472 - 13482 |
| a | 36.813 ± 0.003 Å |
| b | 6.2947 ± 0.0005 Å |
| c | 7.5555 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1750.8 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 2 |
| 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.043 |
| Weighted residual factors for significantly intense reflections | 0.1099 |
| Weighted residual factors for all reflections included in the refinement | 0.1186 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.102 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176435 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1506388.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 {}' |
1506388.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1506388.cif |
| 50277 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 1506388 via cif-deposit CGI script. |
1506388.cif |
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Users of the data should acknowledge the original authors of the
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