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Information card for entry 4109710
Preview
| Coordinates | 4109710.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C42 H44 N2 |
|---|---|
| Calculated formula | C42 H44 N2 |
| SMILES | c1c2c(c3ccccc3n2c2ccc(cc2)CCCCCC)cc2c1c1ccccc1n2c1ccc(cc1)CCCCCC |
| 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 | 10.0608 ± 0.0002 Å |
| b | 14.1458 ± 0.0003 Å |
| c | 11.202 ± 0.0002 Å |
| α | 90° |
| β | 98.249 ± 0.001° |
| γ | 90° |
| Cell volume | 1577.75 ± 0.05 Å3 |
| Cell temperature | 220 ± 2 K |
| Ambient diffraction temperature | 220 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0436 |
| Residual factor for significantly intense reflections | 0.0428 |
| Weighted residual factors for significantly intense reflections | 0.1135 |
| Weighted residual factors for all reflections included in the refinement | 0.1143 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4109710.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. |
4109710.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109710.cif |
| 58487 | 2012-05-28 | cif/ Adding structures of 4109710 via cif-deposit CGI script. |
4109710.cif |
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Users of the data should acknowledge the original authors of the
structural data.