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Information card for entry 1508590
Preview
| Coordinates | 1508590.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C40 H28 N4 O2 Si |
|---|---|
| Calculated formula | C40 H28 N4 O2 Si |
| SMILES | [Si](c1ccc(c2oc(nn2)c2ccccc2)cc1)(c1ccc(c2oc(nn2)c2ccccc2)cc1)(c1ccccc1)c1ccccc1 |
| Title of publication | 1,3,4-Oxadiazole containing silanes as novel hosts for blue phosphorescent organic light emitting diodes |
| Authors of publication | Leung, Man-kit; Yang, Wan-Hsi; Chuang, Ching-Nan; Lee, Jiun-Haw; Lin, Chi-Feng; Wei, Mao-Kuo; Liu, Yu-Hao |
| Journal of publication | Organic Letters |
| Year of publication | 2012 |
| Journal volume | 14 |
| Journal issue | 19 |
| Pages of publication | 4986 - 4989 |
| a | 12.0281 ± 0.0002 Å |
| b | 34.2864 ± 0.0005 Å |
| c | 7.905 ± 0.0001 Å |
| α | 90° |
| β | 91.094 ± 0.001° |
| γ | 90° |
| Cell volume | 3259.43 ± 0.08 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 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 | 0.0507 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1407 |
| Weighted residual factors for all reflections included in the refinement | 0.1516 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.235 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 218632 (current) | 2019-09-20 | cif/1/ Updated bibliographic information in entries 1508589-1508591, 1516102. |
1508590.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. |
1508590.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1508590.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508590.cif |
| 86399 | 2013-07-09 | smi/1 Adding simplified SMILES for compounds with Z'>1 in subdir 1 |
1508590.cif |
| 72088 | 2013-01-21 | cif/ Adding structures of 1508590 via cif-deposit CGI script. |
1508590.cif |
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Users of the data should acknowledge the original authors of the
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