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Information card for entry 7215111
Preview
| Coordinates | 7215111.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C256 H284 N6 |
|---|---|
| Calculated formula | C256 H284 N6 |
| SMILES | N(c1ccc2c3ccc(c4c(c5cc6C(c7c(c6cc5)ccc(N(c5ccccc5)c5ccccc5)c7)(CCCCCC)CCCCCC)c(c5ccc6c(c5)C(c5c6ccc(c5)N(c5ccccc5)c5ccccc5)(CCCCCC)CCCCCC)c(c(c5cc6C(c7c(ccc(N(c8ccccc8)c8ccccc8)c7)c6cc5)(CCCCCC)CCCCCC)c4c4ccc5c(c4)C(c4c5ccc(N(c5ccccc5)c5ccccc5)c4)(CCCCCC)CCCCCC)c4ccc5c(c4)C(c4c5ccc(N(c5ccccc5)c5ccccc5)c4)(CCCCCC)CCCCCC)cc3C(c2c1)(CCCCCC)CCCCCC)(c1ccccc1)c1ccccc1.c1(ccccc1)C.c1ccccc1C.c1(ccccc1)C.c1ccccc1C |
| Title of publication | Star-shaped hexakis(9,9-dihexyl-9H-fluoren-2-yl)benzene end-capped with carbazole and diphenylamine units: solution-processable, high Tg hole-transporting materials for organic light-emitting devices |
| Authors of publication | Zou, Yang; Ye, Tengling; Ma, Dongge; Qin, Jingui; Yang, Chuluo |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 44 |
| Pages of publication | 23485 |
| a | 17.37 ± 0.002 Å |
| b | 17.5261 ± 0.0019 Å |
| c | 19.152 ± 0.002 Å |
| α | 111.516 ± 0.002° |
| β | 95.702 ± 0.002° |
| γ | 104.294 ± 0.002° |
| Cell volume | 5138.3 ± 1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.1729 |
| Residual factor for significantly intense reflections | 0.1317 |
| Weighted residual factors for significantly intense reflections | 0.3724 |
| Weighted residual factors for all reflections included in the refinement | 0.4097 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.551 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180482 (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 7/21/51. |
7215111.cif |
| 111081 | 2014-04-20 | cif/ Adding structures of 7215110, 7215111 via cif-deposit CGI script. |
7215111.cif |
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Users of the data should acknowledge the original authors of the
structural data.