Towards predictable transmembrane transport: QSAR analysis of anion binding and transport
Authors of publication
Busschaert, Nathalie; Bradberry, Samuel J.; Wenzel, Marco; Haynes, Cally J. E.; Hiscock, Jennifer R.; Kirby, Isabelle L.; Karagiannidis, Louise E.; Moore, Stephen J.; Wells, Neil J.; Herniman, Julie; Langley, G. John; Horton, Peter N.; Light, Mark E.; Marques, Igor; Costa, Paulo J.; Félix, Vítor; Frey, Jeremy G.; Gale, Philip A.
Journal of publication
Chemical Science
Year of publication
2013
Journal volume
4
Journal issue
8
Pages of publication
3036
a
13.987 ± 0.007 Å
b
8.17 ± 0.004 Å
c
24.959 ± 0.012 Å
α
90°
β
90°
γ
90°
Cell volume
2852 ± 2 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
5
Space group number
60
Hermann-Mauguin space group symbol
P b c n
Hall space group symbol
-P 2n 2ab
Residual factor for all reflections
0.1033
Residual factor for significantly intense reflections
0.0914
Weighted residual factors for significantly intense reflections
0.1303
Weighted residual factors for all reflections included in the refinement
0.1342
Goodness-of-fit parameter for all reflections included in the refinement
