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Information card for entry 7035935
Preview
| Coordinates | 7035935.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | dippy |
|---|---|
| Formula | C34 H24 B2 N2 O2 |
| Calculated formula | C34 H24 B2 N2 O2 |
| SMILES | O1c2c(c3[n]([B]41c1c([B]5([n]6c(c7c(O5)cccc7)cccc6)c5ccccc45)cccc1)cccc3)cccc2 |
| Title of publication | Diboron complexes with bis-spiro structures as high-performance blue emitters for OLEDs. |
| Authors of publication | Zhang, Zhenyu; Zhang, Zuolun; Ye, Kaiqi; Zhang, Jingying; Zhang, Hongyu; Wang, Yue |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 32 |
| Pages of publication | 14436 - 14443 |
| a | 11.169 ± 0.002 Å |
| b | 16.752 ± 0.003 Å |
| c | 14.317 ± 0.003 Å |
| α | 90° |
| β | 106.57 ± 0.03° |
| γ | 90° |
| Cell volume | 2567.5 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1189 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.1157 |
| Weighted residual factors for all reflections included in the refinement | 0.1383 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
7035935.cif |
| 153215 | 2015-08-08 | cif/ Updating files of 7035935, 7035936 Original log message: Adding full bibliography for 7035935--7035936.cif. |
7035935.cif |
| 152498 | 2015-07-24 | cif/ Adding structures of 7035935, 7035936 via cif-deposit CGI script. |
7035935.cif |
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Users of the data should acknowledge the original authors of the
structural data.