Experimental Insights into the Electronic Nature, Spectral Features, and Role of Entropy in Short CH<sub>3</sub>···CH<sub>3</sub> Hydrophobic Interactions.
Authors of publication
Sarkar, Sounak; Thomas, Sajesh P.; Potnuru, Lokeswara Rao; Edwards, Alison J.; Grosjean, Arnaud; Ramanathan, Krishna Venkatachala; Guru Row, T. N.
Journal of publication
The journal of physical chemistry letters
Year of publication
2019
Journal volume
10
Journal issue
22
Pages of publication
7224 - 7229
a
3.80841 ± 0.00013 Å
b
8.3454 ± 0.0003 Å
c
8.5998 ± 0.0003 Å
α
81.922 ± 0.003°
β
80.362 ± 0.003°
γ
85.796 ± 0.003°
Cell volume
266.446 ± 0.016 Å3
Cell temperature
100 ± 0.02 K
Ambient diffraction temperature
100 ± 0.02 K
Number of distinct elements
4
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.0407
Residual factor for significantly intense reflections
0.0359
Weighted residual factors for significantly intense reflections
0.1064
Weighted residual factors for all reflections included in the refinement
0.1097
Goodness-of-fit parameter for all reflections included in the refinement
