Antioxidant and Antivenom Potential of an Essential Oil, 4-(2-Oxo-propyl)-cyclopentane-1,3-dione, and Allantoin Derived from the Polyherbal Combination of Aristolochia indica L. and Piper nigrum L.

Table 2

Data collection and refinement program of compound W3.

Theta range for data collection	5.518 to 71.202°.
Index ranges	−9 ≤ h ≤ 9, −6 ≤ k ≤ 5, −13 ≤ l ≤ 17
Reflections collected	1943
Independent reflections	1153 [R (int) = 0.0181]
Completeness to theta = 67.684°	99.5%
Wavelength	1.54184 Å
Absorption correction	Analytical
Max. and min. transmission	0.922 and 0.495
Refinement method	Full-matrix least-squares on F^2
Refinement program	SHELXL-2014/7 (sheldrick, 2014)
Data/restraints/parameters	1355/0/101
Goodness-of-fit on F^2	1.046
Final R indices	[I > 2sigma (I)]	R1 = 0.0403, R2 = 0.1072
	all data	R1 = 0.0478, R2 = 0.1148
Weighting scheme	= 1/[σ^2(Fo^2) + (0.1402P)^2 + 1.5335P] where P = (Fo^2 + 2Fc^2)/3
Extinction coefficient	0.0800 (200)
Largest diff. peak and hole	0.229 and −0.208 eÅ^−3