Exploration of CH⋯F & CF⋯H mediated supramolecular arrangements into fluorinated terphenyls and theoretical prediction of their third-order nonlinear optical response
Authors of publication
Adeel, Muhammad; Khalid, Muhammad; Ullah, Malik Aman; Muhammad, Shabbir; Khan, Muhammad Usman; Tahir, Muhammad Nawaz; Khan, Ilham; Asghar, Muhammad; Mughal, Khawar Shahzad
Journal of publication
RSC Advances
Year of publication
2021
Journal volume
11
Journal issue
14
Pages of publication
7766 - 7778
a
3.8023 ± 0.0006 Å
b
6.168 ± 0.001 Å
c
14.583 ± 0.002 Å
α
98.324 ± 0.01°
β
95.514 ± 0.009°
γ
95.661 ± 0.009°
Cell volume
334.63 ± 0.09 Å3
Cell temperature
296 ± 2 K
Ambient diffraction temperature
296 ± 2 K
Number of distinct elements
3
Space group number
2
Hermann-Mauguin space group symbol
P -1
Hall space group symbol
-P 1
Residual factor for all reflections
0.1248
Residual factor for significantly intense reflections
0.0672
Weighted residual factors for significantly intense reflections
0.164
Weighted residual factors for all reflections included in the refinement
0.1876
Goodness-of-fit parameter for all reflections included in the refinement
