Molecular Structure and Crystal Packing of n-Type Semiconducting Material 3′,3′-(1,4-Phenylene)bis{2′-(4′′-trifluoromethyl)phenyl}acrylonitrile

Table 1

Crystallographic data.

Empirical formula	C26H14F6N2
Formula weight	468.39
Temperature	90 K
Wavelength	0.71073 Å
Crystal system	Triclinic
Space group	P −1 (number 2)
Unit cell dimensions	= 6.841(7) Å
	= 8.712(8) Å
	= 17.874(17) Å
Volume	1031.5(17) Å^3
	2
Density (calculated)	1.508 g cm^−1
Absorption coefficient	0.127 mm
(000)	476
Crystal size	0.30 × 0.15 × 0.10 mm
Theta range for data collection	2.852 to 25.03°
Index ranges	−8 ≤ ≤ 8, −10 ≤ ≤ 10, 0 ≤ ≤ 21
Reflections collected	3627
Independent reflections	3627 (int) = 0.0424
Reflections	> 2.0 sigma() 2043
Completeness to theta = 25.03°	99.5%
Absorption correction	Empirical
Refinement method	Full-matrix least-squares on
Data/restraints/parameters	3627/0/308
Goodness-of-fit on	0.964
Final indices > 2 sigma()	= 0.0602, = 0.1433
indices (all data)	= 0.1015, = 0.1553
Largest diff. peak and hole	0.510 and −0.306 eÅ^−3