Through-space interactions between parallel-offset arenes at the van der Waals distance: 1,8-diarylbiphenylene syntheses, structure and QM computations
Authors of publication
Cozzi, Franco; Annunziata, Rita; Benaglia, Maurizio; Baldridge, Kim K.; Aguirre, Gerardo; Estrada, Jesús; Sritana-Anant, Yongsak; Siegel, Jay S.
Journal of publication
Physical Chemistry Chemical Physics
Year of publication
2008
Journal volume
10
Journal issue
19
Pages of publication
2686 - 2694
a
8.27 ± 0.0013 Å
b
18.901 ± 0.004 Å
c
13.723 ± 0.003 Å
α
90°
β
103.554 ± 0.015°
γ
90°
Cell volume
2085.3 ± 0.7 Å3
Cell temperature
293 ± 2 K
Ambient diffraction temperature
293 ± 2 K
Number of distinct elements
2
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/n 1
Hall space group symbol
-P 2yn
Residual factor for all reflections
0.2725
Residual factor for significantly intense reflections
0.1637
Weighted residual factors for significantly intense reflections
0.3833
Weighted residual factors for all reflections included in the refinement
0.419
Goodness-of-fit parameter for all reflections included in the refinement