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Information card for entry 1507018
Preview
| Coordinates | 1507018.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C54 H66 S2 Si2 |
|---|---|
| Calculated formula | C54 H66 S2 Si2 |
| Title of publication | Stable, crystalline acenedithiophenes with up to seven linearly fused rings. |
| Authors of publication | Payne, Marcia M.; Odom, Susan A.; Parkin, Sean R.; Anthony, John E. |
| Journal of publication | Organic letters |
| Year of publication | 2004 |
| Journal volume | 6 |
| Journal issue | 19 |
| Pages of publication | 3325 - 3328 |
| a | 8.5098 ± 0.0002 Å |
| b | 11.748 ± 0.0002 Å |
| c | 12.9896 ± 0.0004 Å |
| α | 76.8314 ± 0.001° |
| β | 86.725 ± 0.001° |
| γ | 68.9497 ± 0.001° |
| Cell volume | 1179.64 ± 0.05 Å3 |
| Cell temperature | 90 ± 0.2 K |
| Ambient diffraction temperature | 90 ± 0.2 K |
| Number of distinct elements | 4 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0813 |
| Residual factor for significantly intense reflections | 0.0534 |
| Weighted residual factors for significantly intense reflections | 0.1455 |
| Weighted residual factors for all reflections included in the refinement | 0.1622 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301775 (current) | 2025-08-18 | Add cross-references to PubChem compounds in COD range 1/50 Each referenced PubChem compound corresponds to the full crystal structure. |
1507018.cif |
| 176729 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1507018.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1507018.cif |
| 51615 | 2012-04-07 | ../uploads/cif-deposit/cod/cif Adding structures of 1507018, 1507019, 1507020, 1507021 via cif-deposit CGI script. |
1507018.cif |
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Users of the data should acknowledge the original authors of the
structural data.