Crystal Structure of Phenyl-C61-Butyric acid Methyl ester (PCBM)

Id7103879
Common namePhenyl-C61-Butyric acid Methyl ester (PCBM)
Chemical nameMethyl 5-(3'H-cyclopropa[1,9](C60-Ih)[5,6]fullerenyl)-5-phenylpentanoate.
a (Å)13.7565(9)
b (Å)16.634(1)
c (Å)19.077(1)
α (°)90
β (°)105.289(1)
γ (°)90
V (Å3)4210.8(4)
Space groupP 1 21/n 1
Temperature (K)90(r12)
Rint0.0442
Publication: Chemical Communications (Cambridge, United Kingdom) (2003) 17 2116-2118