Separation of Functionalized 5,6-Disubstituted-1,10-Phenanthroline for Dye-Sensitized Solar Cell Applications

Table 1

Crystal data and structure refinement for C18H17N3O4S (L^′₁) at 298 K.

Molecular formula	C18 H17 N3 O4 S
Molecular weight	371.42
Temperature (K)	298 (2)
Radiation λ (Å)	0.71073
Crystal system	Monoclinic
Space group	C 2/𝑐
𝑎/Å	20.920(4)
𝑏/Å	10.340(2)
𝑐/Å	16.187(3)
β (°)	92.30(3)
𝑉/Å^3	3498.6(12)
𝑍	8
𝐷calc (g cm^−3)	1.410
Crystal size (mm)	0.25 × 0.17 × 0.15
Crystal colour	Yellow
Absorption coefficient (mm^−1)	0.215
𝐹(000)	1552
Reflections collected/unique	18828/4711
𝜃 range (°)	1.95–29.25
Number of parameters	253
Number of restraints	0
Goodness of fit on 𝐹^2	1.141
𝑅1, w𝑅2 [𝐼 ≥ 2σ(𝐼)]	0.0767, 0.1530
𝑅1, w𝑅2 (all data)	0.1314, 0.1775
Largest difference peak and hole	0.302, −0.238