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
3.8078 ± 0.0001 Å
b
8.3463 ± 0.0002 Å
c
8.5971 ± 0.0003 Å
α
81.918 ± 0.002°
β
80.381 ± 0.002°
γ
85.89 ± 0.002°
Cell volume
266.383 ± 0.013 Å3
Cell temperature
100 ± 2 K
Ambient diffraction temperature
100 ± 0.1 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
0.029
Residual factor for significantly intense reflections
0.018
Weighted residual factors for all reflections included in the refinement
0.044
Goodness-of-fit parameter for all reflections included in the refinement
