Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1505169
Preview
| Coordinates | 1505169.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | T-dinonylT2-T |
|---|---|
| Chemical name | poly(2-[2,2']bithiophen-5-yl-3,6-dinonylthieno[3,2-b]thiophene) |
| Formula | C32 H44 S4 |
| Calculated formula | C32 H44 S4 |
| Title of publication | Dialkyl-Substituted Thieno[3,2-b]thiophene-Based Polymers Containing 2,2‘-Bithiophene, Thieno[3,2-b]thiophene, and Ethynylene Spacers |
| Authors of publication | San Miguel, Lidaris; Matzger, Adam J. |
| Journal of publication | Macromolecules |
| Year of publication | 2007 |
| Journal volume | 40 |
| Journal issue | 26 |
| Pages of publication | 9233 |
| a | 4.80255 ± 0.00009 Å |
| b | 9.70196 ± 0.00018 Å |
| c | 17.3834 ± 0.0003 Å |
| α | 95.195 ± 0.001° |
| β | 99.137 ± 0.001° |
| γ | 97.232 ± 0.001° |
| Cell volume | 788.26 ± 0.03 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 | 0.0672 |
| Residual factor for significantly intense reflections | 0.0489 |
| Weighted residual factors for significantly intense reflections | 0.1249 |
| Weighted residual factors for all reflections included in the refinement | 0.1363 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 1.54187 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 194611 (current) | 2017-03-30 | cif/1/50/ (antanas@kurmis) Replacing the "?" symbol with the "'" symbol in the _chemical_name_systematic data item value in entries 1502754, 1503300, 1505169. |
1505169.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. |
1505169.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1505169.cif |
| 45389 | 2012-03-20 | ../uploads/cif-deposit/cod/cif Adding structures of 1505169 via cif-deposit CGI script. |
1505169.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.