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Information card for entry 7234042
Preview
| Coordinates | 7234042.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | 2,3,7,8-tetrafluoro-5,10-bis(8-oxyquinolinato)-5,10-dihydroboranthrene |
|---|---|
| Formula | C30 H16 B2 F4 N2 O2 |
| Calculated formula | C30 H16 B2 F4 N2 O2 |
| SMILES | Fc1cc2c(cc1F)[B]1(Oc3c4[n]1cccc4ccc3)c1c([B]32Oc2c4[n]3cccc4ccc2)cc(F)c(F)c1 |
| Title of publication | Efficient 8-oxyquinolinato emitters based on a 9,10-dihydro-9,10-diboraanthracene scaffold for applications in optoelectronic devices |
| Authors of publication | Krzysztof Durka; Ireneusz Glowacki; Sergiusz Lulinski; Beata Luszczynska; Jaromir Smetek; Pawel Szczepanik; Janusz Serwatowski; Urszula E. Wawrzyniak; Grzegorz Wesela-Bauman; Ewelina Witkowska; Gabriela Wiosna-Salyga; Krzysztof Wozniak |
| Journal of publication | Journal of Materials Chemistry C |
| Year of publication | 2015 |
| Journal volume | 3 |
| Pages of publication | 1354 - 1364 |
| a | 10.9289 ± 0.0005 Å |
| b | 11.3491 ± 0.0005 Å |
| c | 12.0394 ± 0.0006 Å |
| α | 64.416 ± 0.005° |
| β | 64.811 ± 0.005° |
| γ | 84.204 ± 0.004° |
| Cell volume | 1212.51 ± 0.13 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0624 |
| Residual factor for significantly intense reflections | 0.0432 |
| Weighted residual factors for significantly intense reflections | 0.1085 |
| Weighted residual factors for all reflections included in the refinement | 0.1209 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.012 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301866 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 7/23/ Each referenced PubChem compound corresponds to the full crystal structure. |
7234042.cif |
| 218697 | 2019-09-23 | cif/ Adding structures of 7234042 via cif-deposit CGI script. |
7234042.cif |
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Users of the data should acknowledge the original authors of the
structural data.