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Information card for entry 1516671
Preview
| Coordinates | 1516671.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C34 H38 S Si2 |
|---|---|
| Calculated formula | C34 H38 S Si2 |
| SMILES | [Si](C#CC1=C2SC3=C(c4c(C3=C2c2c1cccc2)cccc4)C#C[Si](CC)(CC)CC)(CC)(CC)CC |
| Title of publication | Quinoidal diindenothienoacenes: synthesis and properties of new functional organic materials |
| Authors of publication | Rudebusch, Gabriel E.; Fix, Aaron G.; Henthorn, Hillary A.; Vonnegut, Chris L.; Zakharov, Lev N.; Haley, Michael M. |
| Journal of publication | Chemical Science |
| Year of publication | 2014 |
| Journal volume | 5 |
| Journal issue | 9 |
| Pages of publication | 3627 |
| a | 7.0866 ± 0.0008 Å |
| b | 16.2124 ± 0.0019 Å |
| c | 26.849 ± 0.003 Å |
| α | 85.812 ± 0.01° |
| β | 84.502 ± 0.007° |
| γ | 77.978 ± 0.007° |
| Cell volume | 2998.7 ± 0.6 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.1495 |
| Residual factor for significantly intense reflections | 0.1233 |
| Weighted residual factors for significantly intense reflections | 0.2892 |
| Weighted residual factors for all reflections included in the refinement | 0.3028 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 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. |
1516671.cif |
| 121570 | 2014-08-08 | cif/ Updating files of 1516669, 1516670, 1516671, 1516672, 1516673, 1516674 Original log message: Adding full bibliography for 1516669--1516674.cif. |
1516671.cif |
| 117761 | 2014-06-17 | cif/ Adding structures of 1516669, 1516670, 1516671, 1516672, 1516673, 1516674 via cif-deposit CGI script. |
1516671.cif |
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Users of the data should acknowledge the original authors of the
structural data.