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Information card for entry 4510949
Preview
| Coordinates | 4510949.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 2t-SubPc |
|---|---|
| Chemical name | frechet06 |
| Formula | C38 H21 B N6 O S2 |
| Calculated formula | C38 H21 B N6 O S2 |
| Title of publication | Axial Thiophene−Boron(subphthalocyanine) Dyads and Their Application in Organic Photovoltaics |
| Authors of publication | Mauldin, Clayton E.; Piliego, Claudia; Poulsen, Daniel; Unruh, David A.; Woo, Claire; Ma, Biwu; Mynar, Justin L.; Fréchet, Jean M. J. |
| Journal of publication | ACS Applied Materials & Interfaces |
| Year of publication | 2010 |
| Journal volume | 2 |
| Journal issue | 10 |
| Pages of publication | 2833 |
| a | 19.6146 ± 0.0018 Å |
| b | 8.231 ± 0.0007 Å |
| c | 20.4254 ± 0.0018 Å |
| α | 90° |
| β | 116.566 ± 0.001° |
| γ | 90° |
| Cell volume | 2949.5 ± 0.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0543 |
| Residual factor for significantly intense reflections | 0.0426 |
| Weighted residual factors for significantly intense reflections | 0.1066 |
| Weighted residual factors for all reflections included in the refinement | 0.1139 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.015 |
| Diffraction radiation wavelength | 0.7749 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 204147 (current) | 2017-12-11 | cif/ Correcting the '_space_group.centring_type' data item enumeration values with the help of the cif_fix_values script from the cod-tools package revision 5887. |
4510949.cif |
| 179656 | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/09. |
4510949.cif |
| 114440 | 2014-05-24 | cif/ Adding structures of 4510949 via cif-deposit CGI script. |
4510949.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.