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Information card for entry 7207932
Preview
| Coordinates | 7207932.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C44 H44 O10 |
|---|---|
| Calculated formula | C44 H44 O10 |
| SMILES | [C@]12(C(=C(c3ccccc3)c3c(c(c(cc13)OC)OC)OC)C(=O)OCC)CC[C@@H]1C(=C(c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC.[C@@]12(C(=C(c3ccccc3)c3c(c(c(cc13)OC)OC)OC)C(=O)OCC)CC[C@H]1C(=C(c3ccccc3)c3c(c(c(c2c13)OC)OC)OC)C(=O)OCC |
| Title of publication | Synthesis and characterization of charge-transporting π-stacked polybenzofulvene derivatives |
| Authors of publication | Cappelli, Andrea; Paolino, Marco; Grisci, Giorgio; Giuliani, Germano; Donati, Alessandro; Mendichi, Raniero; Boccia, Antonella Caterina; Botta, Chiara; Mróz, Wojciech; Samperi, Filippo; Scamporrino, Andrea; Giorgi, Gianluca; Vomero, Salvatore |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 19 |
| Pages of publication | 9611 |
| a | 11.914 Å |
| b | 18.91 Å |
| c | 20.176 Å |
| α | 63.59° |
| β | 82.53° |
| γ | 74.28° |
| Cell volume | 3918.62 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.1392 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1121 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.799 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301863 (current) | 2025-08-22 | Add cross-references to PubChem compounds in COD range 7/20/ Each referenced PubChem compound corresponds to the full crystal structure. |
7207932.cif |
| 180410 | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/79. |
7207932.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207932.cif |
| 56049 | 2012-05-08 | cif/ Adding structures of 7207926, 7207927, 7207928, 7207929, 7207930, 7207931, 7207932 via cif-deposit CGI script. |
7207932.cif |
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Users of the data should acknowledge the original authors of the
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