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Information card for entry 1508589
Preview
| Coordinates | 1508589.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Formula | C32 H24 N2 O Si |
|---|---|
| Calculated formula | C32 H24 N2 O Si |
| SMILES | [Si](c1ccc(c2oc(nn2)c2ccccc2)cc1)(c1ccccc1)(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 | 13.644 ± 0.0003 Å |
| b | 9.5703 ± 0.0002 Å |
| c | 20.6868 ± 0.0004 Å |
| α | 90° |
| β | 107.581 ± 0.002° |
| γ | 90° |
| Cell volume | 2575.05 ± 0.1 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 | 0.0476 |
| Residual factor for significantly intense reflections | 0.0433 |
| Weighted residual factors for significantly intense reflections | 0.1346 |
| Weighted residual factors for all reflections included in the refinement | 0.1418 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.176 |
| 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. |
1508589.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. |
1508589.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. |
1508589.cif |
| 91932 | 2013-12-28 | cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs. |
1508589.cif |
| 72087 | 2013-01-21 | cif/ Adding structures of 1508589 via cif-deposit CGI script. |
1508589.cif |
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Users of the data should acknowledge the original authors of the
structural data.