Lone-Pair-Induced Topicity Observed in Macrobicyclic Tetra-thia Lactams and Cryptands: Synthesis, Spectral Identification, and Computational Assessment.
Authors of publication
Walker, Tia L.; Taschner, Ian S.; Chandra M, Sharath; Taschner, Michael J.; Engle, James T.; Schrage, Briana R.; Ziegler, Christopher J.; Gao, Xinfeng; Wheeler, Steven E.
Journal of publication
The Journal of organic chemistry
Year of publication
2018
Journal volume
83
Journal issue
17
Pages of publication
10025 - 10036
a
26.509 ± 0.005 Å
b
10.6554 ± 0.0019 Å
c
14.59 ± 0.003 Å
α
90°
β
90°
γ
90°
Cell volume
4121.1 ± 1.4 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
4
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
0.0861
Residual factor for significantly intense reflections
0.0786
Weighted residual factors for significantly intense reflections
0.2039
Weighted residual factors for all reflections included in the refinement
0.21
Goodness-of-fit parameter for all reflections included in the refinement
