Synthesis and crystallographic, spectroscopic and computational characterization of 3,3',4,4'-substituted biphenyls: effects of O<i>R</i> substituents on the intra-ring torsion angle
Authors of publication
Vadra, Nahir; Suarez, Sebastian A.; Slep, Leonardo D.; Manzano, Veronica E.; Halac, Emilia B.; Baggio, Ricardo F.; Cukiernik, Fabio D.
Journal of publication
Acta Crystallographica Section B
Year of publication
2020
Journal volume
76
Journal issue
3
a
11.304 ± 0.002 Å
b
10.064 ± 0.002 Å
c
14.496 ± 0.003 Å
α
90°
β
107.822 ± 0.01°
γ
90°
Cell volume
1570 ± 0.5 Å3
Cell temperature
150 ± 2 K
Ambient diffraction temperature
150 ± 2 K
Number of distinct elements
3
Space group number
4
Hermann-Mauguin space group symbol
P 1 21 1
Hall space group symbol
P 2yb
Residual factor for all reflections
0.0815
Residual factor for significantly intense reflections
0.063
Weighted residual factors for significantly intense reflections
0.1641
Weighted residual factors for all reflections included in the refinement
0.1786
Goodness-of-fit parameter for all reflections included in the refinement
