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Information card for entry 1542647
Preview
| Coordinates | 1542647.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C31 H23 N3 O0.5 |
|---|---|
| Calculated formula | C31 H23 N3 O0.5 |
| SMILES | O.n1(c2ccccc2nc1c1c(n2c3c(c4c2cccc4)cccc3)cccc1)c1ccccc1 |
| Title of publication | Orthogonally Substituted Benzimidazole-Carbazole Benzene As Universal Hosts for Phosphorescent Organic Light-Emitting Diodes. |
| Authors of publication | Huang, Jau-Jiun; Hung, Yu-Hsiang; Ting, Pei-Ling; Tsai, Yu-Ning; Gao, Huan-Jie; Chiu, Tien-Lung; Lee, Jiun-Haw; Chen, Chi-Lin; Chou, Pi-Tai; Leung, Man-Kit |
| Journal of publication | Organic letters |
| Year of publication | 2016 |
| Journal volume | 18 |
| Journal issue | 4 |
| Pages of publication | 672 - 675 |
| a | 9.8285 ± 0.0001 Å |
| b | 13.81 ± 0.0002 Å |
| c | 17.3341 ± 0.0002 Å |
| α | 90° |
| β | 91.02 ± 0.001° |
| γ | 90° |
| Cell volume | 2352.41 ± 0.05 Å3 |
| Cell temperature | 295 ± 2 K |
| Ambient diffraction temperature | 295 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0406 |
| Weighted residual factors for significantly intense reflections | 0.1159 |
| Weighted residual factors for all reflections included in the refinement | 0.1227 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301779 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure. |
1542647.cif |
| 177301 | 2016-03-04 | cif/ Adding structures of 1542647 via cif-deposit CGI script. |
1542647.cif |
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Users of the data should acknowledge the original authors of the
structural data.