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Information card for entry 4109709
Preview
| Coordinates | 4109709.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Common name | 5,11-bis(p-octylphenyl)indolocarbazole |
|---|---|
| Formula | C46 H52 N2 |
| Calculated formula | C46 H52 N2 |
| SMILES | c1cccc2n(c3cc4c5ccccc5n(c4cc3c12)c1ccc(cc1)CCCCCCCC)c1ccc(cc1)CCCCCCCC |
| Title of publication | Synthesis, Characterization, and Application of Indolo[3,2-b]carbazole Semiconductors |
| Authors of publication | Pierre-Luc T. Boudreault; Salem Wakim; Nicolas Blouin; Michel Simard; Christian Tessier; Ye Tao; Mario Leclerc |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 9125 - 9136 |
| a | 20.2822 ± 0.0016 Å |
| b | 20.4888 ± 0.0016 Å |
| c | 22.2315 ± 0.0018 Å |
| α | 63.813 ± 0.001° |
| β | 87.3 ± 0.001° |
| γ | 62.565 ± 0.001° |
| Cell volume | 7214.9 ± 1 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 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 | 0.2102 |
| Residual factor for significantly intense reflections | 0.0657 |
| Weighted residual factors for significantly intense reflections | 0.1303 |
| Weighted residual factors for all reflections included in the refinement | 0.1901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.945 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301832 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/10/ Each referenced PubChem compound corresponds to the full crystal structure. |
4109709.cif |
| 178843 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/97. |
4109709.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109709.cif |
| 58486 | 2012-05-28 | cif/ Adding structures of 4109709 via cif-deposit CGI script. |
4109709.cif |
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Users of the data should acknowledge the original authors of the
structural data.