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Information card for entry 4110924
Preview
| Coordinates | 4110924.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C82 H76 Cl6 O6 Si2 |
|---|---|
| Calculated formula | C82 H76 Cl6 O6 Si2 |
| Title of publication | Conjugated Polymers in an Arene Sandwich |
| Authors of publication | Anne J. McNeil; Peter Müller; James E. Whitten; Timothy M. Swager |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2006 |
| Journal volume | 128 |
| Pages of publication | 12426 - 12427 |
| a | 13.0097 ± 0.0005 Å |
| b | 13.0237 ± 0.0005 Å |
| c | 13.3955 ± 0.0005 Å |
| α | 113.905 ± 0.001° |
| β | 113.704 ± 0.001° |
| γ | 96.758 ± 0.001° |
| Cell volume | 1790 ± 0.12 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0376 |
| Residual factor for significantly intense reflections | 0.0339 |
| Weighted residual factors for significantly intense reflections | 0.0925 |
| Weighted residual factors for all reflections included in the refinement | 0.0954 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.051 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301833 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/11/ Each referenced PubChem compound corresponds to the full crystal structure. |
4110924.cif |
| 178880 | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/09. |
4110924.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4110924.cif |
| 59931 | 2012-06-14 | cif/ Adding structures of 4110924 via cif-deposit CGI script. |
4110924.cif |
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Users of the data should acknowledge the original authors of the
structural data.