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Information card for entry 4001534
Preview
| Coordinates | 4001534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C39 H32 O2 P2 |
|---|---|
| Calculated formula | C39 H32 O2 P2 |
| SMILES | P(=O)(c1ccccc1)(c1ccccc1)c1cc2C(C)(C)c3cc(P(=O)(c4ccccc4)c4ccccc4)ccc3c2cc1 |
| Title of publication | New Charge Transporting Host Material for Short Wavelength Organic Electrophosphorescence: 2,7-Bis(diphenylphosphine oxide)-9,9-dimethylfluorene |
| Authors of publication | Padmaperuma, Asanga B.; Sapochak, Linda S.; Burrows, Paul E. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2006 |
| Journal volume | 18 |
| Journal issue | 9 |
| Pages of publication | 2389 |
| a | 11.2 ± 0.003 Å |
| b | 11.38 ± 0.003 Å |
| c | 14.449 ± 0.004 Å |
| α | 80.357 ± 0.005° |
| β | 82.319 ± 0.004° |
| γ | 61.405 ± 0.004° |
| Cell volume | 1591.1 ± 0.7 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0586 |
| Residual factor for significantly intense reflections | 0.0425 |
| Weighted residual factors for significantly intense reflections | 0.1105 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4001534.cif |
| 178377 | 2016-03-21 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001534.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 {}' |
4001534.cif |
| 120073 | 2014-07-11 | Adding DOIs to range 4/00 structures. | 4001534.cif |
| 47603 | 2012-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4001534 via cif-deposit CGI script. |
4001534.cif |
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Users of the data should acknowledge the original authors of the
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