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Information card for entry 7053897
Preview
| Coordinates | 7053897.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C27 H20 N2 |
|---|---|
| Calculated formula | C27 H20 N2 |
| SMILES | c1(C(=C\c2ccc(N(c3ccccc3)c3ccccc3)cc2)\C#N)ccccc1 |
| Title of publication | Aggregation-induced emission of triphenylamine substituted cyanostyrene derivatives |
| Authors of publication | Zhao, Xin; Xue, Pengchong; Wang, Kai; Chen, Peng; Zhang, Peng; Lu, Ran |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2014 |
| Journal volume | 38 |
| Journal issue | 3 |
| Pages of publication | 1045 |
| a | 17.164 ± 0.003 Å |
| b | 6.6995 ± 0.0013 Å |
| c | 19.809 ± 0.004 Å |
| α | 90° |
| β | 111.08 ± 0.03° |
| γ | 90° |
| Cell volume | 2125.4 ± 0.8 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 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 | 0.1192 |
| Residual factor for significantly intense reflections | 0.0535 |
| Weighted residual factors for significantly intense reflections | 0.1219 |
| Weighted residual factors for all reflections included in the refinement | 0.1451 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180092 (current) | 2016-03-26 | cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/38. |
7053897.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 {}' |
7053897.cif |
| 105634 | 2014-03-12 | cif/ Adding structures of 7053897, 7053898 via cif-deposit CGI script. |
7053897.cif |
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Users of the data should acknowledge the original authors of the
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