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. 2021 Mar 3;26(5):1352. doi: 10.3390/molecules26051352

Table 1.

Crystallographic data.

Crystallographic Data Compound 6
Formula C21H26O6, C4H8O2
M 462.52
Space group P2 1
Crystal system Monoclinic
a/Å 7.9730(2)
b/Å 16.3719(3)
c/Å 9.4380(3)
α/° 90.00
β/° 100.9145(8)
γ/° 90.00
U/Å3 1209.69(5)
Z 2
T/K 295
Dc/g cm−3 1.270
F(000) 496
μ(Mo-Kα)/mm−1 0.094
Unique Reflections 6576
Rint 0.0366
Obs. Refl.ns [I ≥ 2σ(I)] 5759
θmin–θmax 3.71−30.00
hkl ranges −11,11;−21,22;−13,13
R(F2) (Obs. Refl.ns) 0.0426
wR(F2) (All Refl.ns) 0.1143
No. Variables 318
Goodness of fit 1.043
Δρmax; Δρmin /e Å−3 0.232; −0.022
CCDC Deposition N. 1909504