Substituent effects on aromatic stacking interactions.
Authors of publication
Cockroft, Scott L.; Perkins, Julie; Zonta, Cristiano; Adams, Harry; Spey, Sharon E.; Low, Caroline M. R.; Vinter, Jeremy G.; Lawson, Kevin R.; Urch, Christopher J.; Hunter, Christopher A.
Journal of publication
Organic & biomolecular chemistry
Year of publication
2007
Journal volume
5
Journal issue
7
Pages of publication
1062 - 1080
a
4.7538 ± 0.0019 Å
b
10.885 ± 0.007 Å
c
30.402 ± 0.012 Å
α
90°
β
91.1 ± 0.04°
γ
90°
Cell volume
1572.9 ± 1.3 Å3
Cell temperature
571 ± 2 K
Ambient diffraction temperature
571 ± 2 K
Number of distinct elements
5
Space group number
14
Hermann-Mauguin space group symbol
P 1 21/c 1
Hall space group symbol
-P 2ybc
Residual factor for all reflections
0.3101
Residual factor for significantly intense reflections
0.0588
Weighted residual factors for significantly intense reflections
0.1071
Weighted residual factors for all reflections included in the refinement
0.1584
Goodness-of-fit parameter for all reflections included in the refinement