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Information card for entry 1517975
Preview
| Coordinates | 1517975.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C25 H18 N2 |
|---|---|
| Calculated formula | C25 H18 N2 |
| SMILES | n1(c2ccccc2nc1c1ccccc1c1ccccc1)c1ccccc1 |
| Title of publication | Novel Benzimidazole Derivatives as Electron-Transporting Type Host To Achieve Highly Efficient Sky-Blue Phosphorescent Organic Light-Emitting Diode (PHOLED) Device. |
| Authors of publication | Huang, Jau-Jiun; Leung, Man-Kit; Chiu, Tien-Lung; Chuang, Ya-Ting; Chou, Pi-Tai; Hung, Yu-Hsiang |
| Journal of publication | Organic letters |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 20 |
| Pages of publication | 5398 - 5401 |
| a | 12.4127 ± 0.001 Å |
| b | 9.7948 ± 0.0008 Å |
| c | 15.3247 ± 0.0013 Å |
| α | 90° |
| β | 90.878 ± 0.007° |
| γ | 90° |
| Cell volume | 1863 ± 0.3 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0819 |
| Residual factor for significantly intense reflections | 0.0529 |
| Weighted residual factors for significantly intense reflections | 0.1113 |
| Weighted residual factors for all reflections included in the refinement | 0.1275 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301776 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure. |
1517975.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. |
1517975.cif |
| 129076 | 2014-12-26 | Fixing formulae and Z values for several entries |
1517975.cif |
| 127246 | 2014-11-12 | cif/ Updating files of 1517974, 1517975 Original log message: Adding full bibliography for 1517974--1517975.cif. |
1517975.cif |
| 125253 | 2014-10-10 | cif/ Adding structures of 1517975 via cif-deposit CGI script. |
1517975.cif |
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