Information card for entry 7245011
| Formula |
C34 H40 N2 S4 |
| Calculated formula |
C34 H40 N2 S4 |
| Title of publication |
Correlation of Solid-State Order to Optoelectronic Behavior in Heterocyclic Oligomers |
| Authors of publication |
Karunathilaka, Dilan; Rajapakse, R. M. G.; Steen, April; Sexton, Thomas More; Sparks, Nicholas; Mosely, Jacquelyn; Rheingold, Arnold L.; Hammer, Nathan I.; Tschumper, Gregory S.; Watkins, Davita |
| Journal of publication |
CrystEngComm |
| Year of publication |
2022 |
| a |
5.765 ± 0.003 Å |
| b |
7.688 ± 0.004 Å |
| c |
18.142 ± 0.009 Å |
| α |
80.692 ± 0.008° |
| β |
84.686 ± 0.007° |
| γ |
71.676 ± 0.007° |
| Cell volume |
752.5 ± 0.7 Å3 |
| Cell temperature |
100 K |
| Ambient diffraction temperature |
100 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 |
0.1232 |
| Residual factor for significantly intense reflections |
0.113 |
| Weighted residual factors for significantly intense reflections |
0.3653 |
| Weighted residual factors for all reflections included in the refinement |
0.3859 |
| Goodness-of-fit parameter for all reflections included in the refinement |
1.603 |
| 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/7245011.html
