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 F2
Refinement program
SHELXL-2014/7 (sheldrick, 2014)
Data/restraints/parameters
1355/0/101
Goodness-of-fit on F2
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/[σ2(Fo2) + (0.1402P)2 + 1.5335P] where P = (Fo2 + 2Fc2)/3