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Information card for entry 1505834
Preview
| Coordinates | 1505834.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider; PubChem |
| Formula | C34 H40 F4 |
|---|---|
| Calculated formula | C34 H40 F4 |
| SMILES | c1(F)c(F)c(F)c(F)c2cc3c(CCCCCCCC)c4ccccc4c(CCCCCCCC)c3cc12 |
| Title of publication | Syntheses of soluble, pi-stacking tetracene derivatives. |
| Authors of publication | Chen, Zhihua; Müller, Peter; Swager, Timothy M. |
| Journal of publication | Organic letters |
| Year of publication | 2006 |
| Journal volume | 8 |
| Journal issue | 2 |
| Pages of publication | 273 - 276 |
| a | 7.9507 ± 0.0013 Å |
| b | 16.883 ± 0.003 Å |
| c | 22.692 ± 0.004 Å |
| α | 107.104 ± 0.005° |
| β | 99.04 ± 0.005° |
| γ | 102.78 ± 0.005° |
| Cell volume | 2757.3 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1291 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1028 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1505834.cif |
| 201954 | 2017-10-13 | cif/ Marking COD entries in range 1 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
1505834.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. |
1505834.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 {}' |
1505834.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505834.cif |
| 47776 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 1505831, 1505832, 1505833, 1505834 via cif-deposit CGI script. |
1505834.cif |
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Users of the data should acknowledge the original authors of the
structural data.