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. 2018 Oct 12;3(10):13089–13096. doi: 10.1021/acsomega.8b01120

Table 1. Summary of the X-ray Crystallographic Data for Compound 13.

formula sum C30H39N5O5S
formula wt (g/mol) 581.72
crystal system monoclinic
space group P1211
cell parameters a = 15.1260(11) Å, b = 7.5829(4) Å, c = 26.1864(18) Å, β = 90.547(6)°
cell ratio  
cell volume (Å3) 3003.42(30)
Z 4
calcd density (g/cm3) 1.28642
RAll 0.1951
Pearson code mP352
formula type NO5P5Q30R39
Wyckoff sequence a176