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Information card for entry 7219018
Preview
| Coordinates | 7219018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Chemical name | thienopyrrole |
|---|---|
| Formula | C24 H27 N5 O2 S2 |
| Calculated formula | C24 H27 N5 O2 S2 |
| SMILES | s1c2c3c4c(nn(CCCCCC)n4)c4c5sccc5[nH]c4c3[nH]c2cc1.O(CC)C(=O)C |
| Title of publication | Thienopyrrole and Selenophenopyrrole Donor Fused with Benzotriazole Acceptor: Microwave Assisted Synthesis and Electrochemical Polymerization |
| Authors of publication | Ghosh, Sirina; Bedi, Anjan; Zade, Sanjio S. |
| Journal of publication | RSC Adv. |
| Year of publication | 2014 |
| a | 7.3225 ± 0.0002 Å |
| b | 15.3272 ± 0.0005 Å |
| c | 21.4586 ± 0.0006 Å |
| α | 90° |
| β | 94.056 ± 0.003° |
| γ | 90° |
| Cell volume | 2402.34 ± 0.12 Å3 |
| Cell temperature | 293.15 K |
| Ambient diffraction temperature | 293.15 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 | 0.0661 |
| Residual factor for significantly intense reflections | 0.0471 |
| Weighted residual factors for significantly intense reflections | 0.0944 |
| Weighted residual factors for all reflections included in the refinement | 0.1058 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180521 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90. |
7219018.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 {}' |
7219018.cif |
| 128154 | 2014-12-05 | cif/ Adding structures of 7219016, 7219017, 7219018, 7219019 via cif-deposit CGI script. |
7219018.cif |
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Users of the data should acknowledge the original authors of the
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