Information card for entry 1515003
| Formula |
C29 H23 Cl2 N2 |
| Calculated formula |
C29 H23 Cl2 N2 |
| SMILES |
N#CC(=C\C=C\C=C\c1ccccc1)/C=C/C(=C/C=C/C=C/c1ccccc1)C#N.ClCCl |
| Title of publication |
Functionalizing molecular wires: a tunable class of α,ω-diphenyl-μ,ν-dicyano-oligoenes |
| Authors of publication |
Meisner, Jeffrey S.; Sedbrook, Danielle F.; Krikorian, Markrete; Chen, Jun; Sattler, Aaron; Carnes, Matthew E.; Murray, Christopher B.; Steigerwald, Michael; Nuckolls, Colin |
| Journal of publication |
Chemical Science |
| Year of publication |
2012 |
| Journal volume |
3 |
| Journal issue |
4 |
| Pages of publication |
1007 |
| a |
22.398 ± 0.003 Å |
| b |
11.1946 ± 0.0017 Å |
| c |
9.7652 ± 0.0014 Å |
| α |
90° |
| β |
95.645 ± 0.002° |
| γ |
90° |
| Cell volume |
2436.6 ± 0.6 Å3 |
| Cell temperature |
125 ± 2 K |
| Ambient diffraction temperature |
125 ± 2 K |
| Number of distinct elements |
4 |
| Space group number |
15 |
| Hermann-Mauguin space group symbol |
C 1 2/c 1 |
| Hall space group symbol |
-C 2yc |
| Residual factor for all reflections |
0.1627 |
| Residual factor for significantly intense reflections |
0.0584 |
| Weighted residual factors for significantly intense reflections |
0.1095 |
| Weighted residual factors for all reflections included in the refinement |
0.1423 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.009 |
| Diffraction radiation wavelength |
0.71073 Å |
| Diffraction radiation type |
MoKα |
| Has coordinates |
Yes |
| Has disorder |
No |
| Has Fobs |
No |
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https://www.crystallography.net/1515003.html
