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
15.45 ± 0.0013 Å
b
8.1309 ± 0.0007 Å
c
17.7096 ± 0.0015 Å
α
90°
β
115.073 ± 0.004°
γ
90°
Cell volume
2015.1 ± 0.3 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 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
0.3244
Residual factor for significantly intense reflections
0.0797
Weighted residual factors for significantly intense reflections
0.2919
Weighted residual factors for all reflections included in the refinement
0.44
Goodness-of-fit parameter for all reflections included in the refinement
