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. 2021 May 3;26(9):2677. doi: 10.3390/molecules26092677

Table 1.

Crystallographic data of Apx–Que–2ACN.

Compound Apx–Que–2ACN
Empirical formula C44H41N7O11
T (K) 293
Crystal system monoclinic
Space group P21/n
a (Å) 17.115
b (Å) 12.888
c (Å) 19.500
α (deg) 90.00
β (deg) 92.06
γ (deg) 90.00
Volume (Å3) 4298
Z 4
Calculated density (g/cm3) 1.304
Absorption coeff. (mm−1) 0.794
F (000) 1768
Crystal size (mm) 0.2×0.2×0.2
Rint 0.0710
R1 [I>2σ(I)] 0.0712
wR2 (all data) 0.2170
GOF 1.087