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Information card for entry 1513259
Preview
| Coordinates | 1513259.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C52 H74 F2 N2 O2 |
|---|---|
| Calculated formula | C52 H74 F2 N2 O2 |
| SMILES | CCCCCCCCCCCCCCCCN1c2cc3c(cc2C(=O)c2c1ccc(c2)F)N(CCCCCCCCCCCCCCCC)c1c(C3=O)cc(cc1)F |
| Title of publication | Alkyl Chain Length Dependent Morphology and Emission Properties of the Organic Micromaterials Based on Fluorinated Quinacridone Derivatives |
| Authors of publication | Zhao, Yunfeng; Mu, Xiaoyue; Bao, Chunxiao; Fan, Yan; Zhang, Jingying; Wang, Yue |
| Journal of publication | Langmuir |
| Year of publication | 2009 |
| Journal volume | 25 |
| Journal issue | 5 |
| Pages of publication | 3264 - 3270 |
| a | 16.163 ± 0.003 Å |
| b | 10.169 ± 0.002 Å |
| c | 15.187 ± 0.003 Å |
| α | 90° |
| β | 113.16 ± 0.03° |
| γ | 90° |
| Cell volume | 2295 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.2082 |
| Residual factor for significantly intense reflections | 0.0873 |
| Weighted residual factors for significantly intense reflections | 0.2357 |
| Weighted residual factors for all reflections included in the refinement | 0.3204 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.864 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1513259.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513259.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 {}' |
1513259.cif |
| 99177 | 2014-01-30 | cif/ Adding structures of 1513256, 1513257, 1513258, 1513259 via cif-deposit CGI script. |
1513259.cif |
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Users of the data should acknowledge the original authors of the
structural data.