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
9.821 ± 0.003 Å
b
27.136 ± 0.007 Å
c
9.389 ± 0.002 Å
α
90°
β
117.809 ± 0.003°
γ
90°
Cell volume
2213.2 ± 1 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 2 K
Number of distinct elements
5
Space group number
9
Hermann-Mauguin space group symbol
C 1 c 1
Hall space group symbol
C -2yc
Residual factor for all reflections
0.0538
Residual factor for significantly intense reflections
0.0426
Weighted residual factors for significantly intense reflections
0.0864
Weighted residual factors for all reflections included in the refinement
0.0922
Goodness-of-fit parameter for all reflections included in the refinement
